N-(2-aminoethyl)-4-(4-methylphenyl)butanamide;7-amino-N-[4-(4-methylphenoxy)butyl]-4-oxoheptanamide;4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxobutanamide;(2,5-dioxopyrrolidin-1-yl) 4-(4-methylphenyl)butanoate;N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide;N-[4-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-4-oxobutyl]-4-(4-methylphenyl)butanamide;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[4-(4-methylphenoxy)butyl]cyclohexane-1-carboxamide;8-(2,5-dioxopyrrol-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxooctanamide;4-(4-methylphenoxy)butan-1-amine;4-[4-(4-methylphenoxy)butylamino]-4-oxobutanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;4-(4-methylphenyl)butanoic acid;prop-1-ene

C222H309N17O47 — CID 159897981

IUPACN-(2-aminoethyl)-4-(4-methylphenyl)butanamide;7-amino-N-[4-(4-methylphenoxy)butyl]-4-oxoheptanamide;4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxobutanamide;(2,5-dioxopyrrolidin-1-yl) 4-(4-methylphenyl)butanoate;N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide;N-[4-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-4-oxobutyl]-4-(4-methylphenyl)butanamide;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[4-(4-methylphenoxy)butyl]cyclohexane-1-carboxamide;8-(2,5-dioxopyrrol-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxooctanamide;4-(4-methylphenoxy)butan-1-amine;4-[4-(4-methylphenoxy)butylamino]-4-oxobutanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;4-(4-methylphenyl)butanoic acid;prop-1-ene
SMILESC=CC.Cc1ccc(CCCC(=O)NCCCC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)cc1.Cc1ccc(CCCC(=O)NCCCCN2C(=O)C=CC2=O)cc1.Cc1ccc(CCCC(=O)NCCN)cc1.Cc1ccc(CCCC(=O)O)cc1.Cc1ccc(CCCC(=O)ON2C(=O)CCC2=O)cc1.Cc1ccc(OCCCCN)cc1.Cc1ccc(OCCCCNC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)cc1.Cc1ccc(OCCCCNC(=O)CCC(=O)CCCCN2C(=O)C=CC2=O)cc1.Cc1ccc(OCCCCNC(=O)CCC(=O)CCCN)cc1.Cc1ccc(OCCCCNC(=O)CCC(=O)N2C(=O)CCC2=O)cc1.Cc1ccc(OCCCCNC(=O)CCC(=O)O)cc1.Cc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)cc1
InChIInChI=1S/C26H34N2O4.C26H44O11.C23H30N2O5.C23H30N2O4.C19H24N2O5.C19H24N2O3.C18H28N2O3.C15H17NO4.C15H21NO4.C13H20N2O.C11H17NO.C11H14O2.C3H6/c1-19-7-9-20(10-8-19)4-2-6-24(30)27-17-3-5-23(29)22-13-11-21(12-14-22)18-28-25(31)15-16-26(28)32;1-24-2-4-25(5-3-24)37-23-22-36-21-20-35-19-18-34-17-16-33-15-14-32-13-12-31-11-10-30-9-8-29-7-6-26(27)28;1-18-7-10-20(11-8-18)30-17-5-3-15-24-21(27)12-9-19(26)6-2-4-16-25-22(28)13-14-23(25)29;1-17-4-10-20(11-5-17)29-15-3-2-14-24-23(28)19-8-6-18(7-9-19)16-25-21(26)12-13-22(25)27;1-14-4-6-15(7-5-14)26-13-3-2-12-20-16(22)8-9-17(23)21-18(24)10-11-19(21)25;1-15-7-9-16(10-8-15)5-4-6-17(22)20-13-2-3-14-21-18(23)11-12-19(21)24;1-15-6-9-17(10-7-15)23-14-3-2-13-20-18(22)11-8-16(21)5-4-12-19;1-11-5-7-12(8-6-11)3-2-4-15(19)20-16-13(17)9-10-14(16)18;1-12-4-6-13(7-5-12)20-11-3-2-10-16-14(17)8-9-15(18)19;1-11-5-7-12(8-6-11)3-2-4-13(16)15-10-9-14;1-10-4-6-11(7-5-10)13-9-3-2-8-12;1-9-5-7-10(8-6-9)3-2-4-11(12)13;1-3-2/h7-10,15-16,21-22H,2-6,11-14,17-18H2,1H3,(H,27,30);2-5H,6-23H2,1H3,(H,27,28);7-8,10-11,13-14H,2-6,9,12,15-17H2,1H3,(H,24,27);4-5,10-13,18-19H,2-3,6-9,14-16H2,1H3,(H,24,28);4-7H,2-3,8-13H2,1H3,(H,20,22);7-12H,2-6,13-14H2,1H3,(H,20,22);6-7,9-10H,2-5,8,11-14,19H2,1H3,(H,20,22);5-8H,2-4,9-10H2,1H3;4-7H,2-3,8-11H2,1H3,(H,16,17)(H,18,19);5-8H,2-4,9-10,14H2,1H3,(H,15,16);4-7H,2-3,8-9,12H2,1H3;5-8H,2-4H2,1H3,(H,12,13);3H,1H2,2H3
InChIKeyNVOYRNYTXZAZLW-UHFFFAOYSA-N
MW3967.99 g/mol
LogP28.60
Rot. Bonds121

About N-(2-aminoethyl)-4-(4-methylphenyl)butanamide;7-amino-N-[4-(4-methylphenoxy)butyl]-4-oxoheptanamide;4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxobutanamide;(2,5-dioxopyrrolidin-1-yl) 4-(4-methylphenyl)butanoate;N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide;N-[4-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-4-oxobutyl]-4-(4-methylphenyl)butanamide;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[4-(4-methylphenoxy)butyl]cyclohexane-1-carboxamide;8-(2,5-dioxopyrrol-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxooctanamide;4-(4-methylphenoxy)butan-1-amine;4-[4-(4-methylphenoxy)butylamino]-4-oxobutanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;4-(4-methylphenyl)butanoic acid;prop-1-ene

N-(2-aminoethyl)-4-(4-methylphenyl)butanamide;7-amino-N-[4-(4-methylphenoxy)butyl]-4-oxoheptanamide;4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxobutanamide;(2,5-dioxopyrrolidin-1-yl) 4-(4-methylphenyl)butanoate;N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide;N-[4-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-4-oxobutyl]-4-(4-methylphenyl)butanamide;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[4-(4-methylphenoxy)butyl]cyclohexane-1-carboxamide;8-(2,5-dioxopyrrol-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxooctanamide;4-(4-methylphenoxy)butan-1-amine;4-[4-(4-methylphenoxy)butylamino]-4-oxobutanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;4-(4-methylphenyl)butanoic acid;prop-1-ene (PubChem CID 159897981) has the molecular formula C222H309N17O47 and a molecular weight of 3967.99 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-(4-methylphenyl)butanamide;7-amino-N-[4-(4-methylphenoxy)butyl]-4-oxoheptanamide;4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxobutanamide;(2,5-dioxopyrrolidin-1-yl) 4-(4-methylphenyl)butanoate;N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide;N-[4-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-4-oxobutyl]-4-(4-methylphenyl)butanamide;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[4-(4-methylphenoxy)butyl]cyclohexane-1-carboxamide;8-(2,5-dioxopyrrol-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxooctanamide;4-(4-methylphenoxy)butan-1-amine;4-[4-(4-methylphenoxy)butylamino]-4-oxobutanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;4-(4-methylphenyl)butanoic acid;prop-1-ene.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-(4-methylphenyl)butanamide;7-amino-N-[4-(4-methylphenoxy)butyl]-4-oxoheptanamide;4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxobutanamide;(2,5-dioxopyrrolidin-1-yl) 4-(4-methylphenyl)butanoate;N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide;N-[4-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-4-oxobutyl]-4-(4-methylphenyl)butanamide;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[4-(4-methylphenoxy)butyl]cyclohexane-1-carboxamide;8-(2,5-dioxopyrrol-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxooctanamide;4-(4-methylphenoxy)butan-1-amine;4-[4-(4-methylphenoxy)butylamino]-4-oxobutanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;4-(4-methylphenyl)butanoic acid;prop-1-ene
PubChem CID159897981
Molecular FormulaC222H309N17O47
Molecular Weight3967.99 g/mol
Exact Mass3965.23
IUPAC NameN-(2-aminoethyl)-4-(4-methylphenyl)butanamide;7-amino-N-[4-(4-methylphenoxy)butyl]-4-oxoheptanamide;4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxobutanamide;(2,5-dioxopyrrolidin-1-yl) 4-(4-methylphenyl)butanoate;N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide;N-[4-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-4-oxobutyl]-4-(4-methylphenyl)butanamide;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[4-(4-methylphenoxy)butyl]cyclohexane-1-carboxamide;8-(2,5-dioxopyrrol-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxooctanamide;4-(4-methylphenoxy)butan-1-amine;4-[4-(4-methylphenoxy)butylamino]-4-oxobutanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;4-(4-methylphenyl)butanoic acid;prop-1-ene
SMILESC=CC.Cc1ccc(CCCC(=O)NCCCC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)cc1.Cc1ccc(CCCC(=O)NCCCCN2C(=O)C=CC2=O)cc1.Cc1ccc(CCCC(=O)NCCN)cc1.Cc1ccc(CCCC(=O)O)cc1.Cc1ccc(CCCC(=O)ON2C(=O)CCC2=O)cc1.Cc1ccc(OCCCCN)cc1.Cc1ccc(OCCCCNC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)cc1.Cc1ccc(OCCCCNC(=O)CCC(=O)CCCCN2C(=O)C=CC2=O)cc1.Cc1ccc(OCCCCNC(=O)CCC(=O)CCCN)cc1.Cc1ccc(OCCCCNC(=O)CCC(=O)N2C(=O)CCC2=O)cc1.Cc1ccc(OCCCCNC(=O)CCC(=O)O)cc1.Cc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)cc1
InChIInChI=1S/C26H34N2O4.C26H44O11.C23H30N2O5.C23H30N2O4.C19H24N2O5.C19H24N2O3.C18H28N2O3.C15H17NO4.C15H21NO4.C13H20N2O.C11H17NO.C11H14O2.C3H6/c1-19-7-9-20(10-8-19)4-2-6-24(30)27-17-3-5-23(29)22-13-11-21(12-14-22)18-28-25(31)15-16-26(28)32;1-24-2-4-25(5-3-24)37-23-22-36-21-20-35-19-18-34-17-16-33-15-14-32-13-12-31-11-10-30-9-8-29-7-6-26(27)28;1-18-7-10-20(11-8-18)30-17-5-3-15-24-21(27)12-9-19(26)6-2-4-16-25-22(28)13-14-23(25)29;1-17-4-10-20(11-5-17)29-15-3-2-14-24-23(28)19-8-6-18(7-9-19)16-25-21(26)12-13-22(25)27;1-14-4-6-15(7-5-14)26-13-3-2-12-20-16(22)8-9-17(23)21-18(24)10-11-19(21)25;1-15-7-9-16(10-8-15)5-4-6-17(22)20-13-2-3-14-21-18(23)11-12-19(21)24;1-15-6-9-17(10-7-15)23-14-3-2-13-20-18(22)11-8-16(21)5-4-12-19;1-11-5-7-12(8-6-11)3-2-4-15(19)20-16-13(17)9-10-14(16)18;1-12-4-6-13(7-5-12)20-11-3-2-10-16-14(17)8-9-15(18)19;1-11-5-7-12(8-6-11)3-2-4-13(16)15-10-9-14;1-10-4-6-11(7-5-10)13-9-3-2-8-12;1-9-5-7-10(8-6-9)3-2-4-11(12)13;1-3-2/h7-10,15-16,21-22H,2-6,11-14,17-18H2,1H3,(H,27,30);2-5H,6-23H2,1H3,(H,27,28);7-8,10-11,13-14H,2-6,9,12,15-17H2,1H3,(H,24,27);4-5,10-13,18-19H,2-3,6-9,14-16H2,1H3,(H,24,28);4-7H,2-3,8-13H2,1H3,(H,20,22);7-12H,2-6,13-14H2,1H3,(H,20,22);6-7,9-10H,2-5,8,11-14,19H2,1H3,(H,20,22);5-8H,2-4,9-10H2,1H3;4-7H,2-3,8-11H2,1H3,(H,16,17)(H,18,19);5-8H,2-4,9-10,14H2,1H3,(H,15,16);4-7H,2-3,8-9,12H2,1H3;5-8H,2-4H2,1H3,(H,12,13);3H,1H2,2H3
InChIKeyNVOYRNYTXZAZLW-UHFFFAOYSA-N
XLogP28.60
TPSA880.07 Ų
H-Bond Donors14
H-Bond Acceptors47
Rotatable Bonds121
Heavy Atoms286
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003967.99
LogP ≤ 528.60
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-(2-aminoethyl)-4-(4-methylphenyl)butanamide;7-amino-N-[4-(4-methylphenoxy)butyl]-4-oxoheptanamide;4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxobutanamide;(2,5-dioxopyrrolidin-1-yl) 4-(4-methylphenyl)butanoate;N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide;N-[4-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-4-oxobutyl]-4-(4-methylphenyl)butanamide;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[4-(4-methylphenoxy)butyl]cyclohexane-1-carboxamide;8-(2,5-dioxopyrrol-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxooctanamide;4-(4-methylphenoxy)butan-1-amine;4-[4-(4-methylphenoxy)butylamino]-4-oxobutanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;4-(4-methylphenyl)butanoic acid;prop-1-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-(4-methylphenyl)butanamide;7-amino-N-[4-(4-methylphenoxy)butyl]-4-oxoheptanamide;4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxobutanamide;(2,5-dioxopyrrolidin-1-yl) 4-(4-methylphenyl)butanoate;N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide;N-[4-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-4-oxobutyl]-4-(4-methylphenyl)butanamide;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[4-(4-methylphenoxy)butyl]cyclohexane-1-carboxamide;8-(2,5-dioxopyrrol-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxooctanamide;4-(4-methylphenoxy)butan-1-amine;4-[4-(4-methylphenoxy)butylamino]-4-oxobutanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;4-(4-methylphenyl)butanoic acid;prop-1-ene?
The IUPAC name of N-(2-aminoethyl)-4-(4-methylphenyl)butanamide;7-amino-N-[4-(4-methylphenoxy)butyl]-4-oxoheptanamide;4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxobutanamide;(2,5-dioxopyrrolidin-1-yl) 4-(4-methylphenyl)butanoate;N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide;N-[4-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-4-oxobutyl]-4-(4-methylphenyl)butanamide;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[4-(4-methylphenoxy)butyl]cyclohexane-1-carboxamide;8-(2,5-dioxopyrrol-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxooctanamide;4-(4-methylphenoxy)butan-1-amine;4-[4-(4-methylphenoxy)butylamino]-4-oxobutanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;4-(4-methylphenyl)butanoic acid;prop-1-ene (CID 159897981) is N-(2-aminoethyl)-4-(4-methylphenyl)butanamide;7-amino-N-[4-(4-methylphenoxy)butyl]-4-oxoheptanamide;4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxobutanamide;(2,5-dioxopyrrolidin-1-yl) 4-(4-methylphenyl)butanoate;N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide;N-[4-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-4-oxobutyl]-4-(4-methylphenyl)butanamide;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[4-(4-methylphenoxy)butyl]cyclohexane-1-carboxamide;8-(2,5-dioxopyrrol-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxooctanamide;4-(4-methylphenoxy)butan-1-amine;4-[4-(4-methylphenoxy)butylamino]-4-oxobutanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;4-(4-methylphenyl)butanoic acid;prop-1-ene.
What is the SMILES notation for N-(2-aminoethyl)-4-(4-methylphenyl)butanamide;7-amino-N-[4-(4-methylphenoxy)butyl]-4-oxoheptanamide;4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxobutanamide;(2,5-dioxopyrrolidin-1-yl) 4-(4-methylphenyl)butanoate;N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide;N-[4-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-4-oxobutyl]-4-(4-methylphenyl)butanamide;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[4-(4-methylphenoxy)butyl]cyclohexane-1-carboxamide;8-(2,5-dioxopyrrol-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxooctanamide;4-(4-methylphenoxy)butan-1-amine;4-[4-(4-methylphenoxy)butylamino]-4-oxobutanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;4-(4-methylphenyl)butanoic acid;prop-1-ene?
The canonical SMILES for N-(2-aminoethyl)-4-(4-methylphenyl)butanamide;7-amino-N-[4-(4-methylphenoxy)butyl]-4-oxoheptanamide;4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxobutanamide;(2,5-dioxopyrrolidin-1-yl) 4-(4-methylphenyl)butanoate;N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide;N-[4-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-4-oxobutyl]-4-(4-methylphenyl)butanamide;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[4-(4-methylphenoxy)butyl]cyclohexane-1-carboxamide;8-(2,5-dioxopyrrol-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxooctanamide;4-(4-methylphenoxy)butan-1-amine;4-[4-(4-methylphenoxy)butylamino]-4-oxobutanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;4-(4-methylphenyl)butanoic acid;prop-1-ene is C=CC.Cc1ccc(CCCC(=O)NCCCC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)cc1.Cc1ccc(CCCC(=O)NCCCCN2C(=O)C=CC2=O)cc1.Cc1ccc(CCCC(=O)NCCN)cc1.Cc1ccc(CCCC(=O)O)cc1.Cc1ccc(CCCC(=O)ON2C(=O)CCC2=O)cc1.Cc1ccc(OCCCCN)cc1.Cc1ccc(OCCCCNC(=O)C2CCC(CN3C(=O)C=CC3=O)CC2)cc1.Cc1ccc(OCCCCNC(=O)CCC(=O)CCCCN2C(=O)C=CC2=O)cc1.Cc1ccc(OCCCCNC(=O)CCC(=O)CCCN)cc1.Cc1ccc(OCCCCNC(=O)CCC(=O)N2C(=O)CCC2=O)cc1.Cc1ccc(OCCCCNC(=O)CCC(=O)O)cc1.Cc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O)cc1.
What is the InChIKey of N-(2-aminoethyl)-4-(4-methylphenyl)butanamide;7-amino-N-[4-(4-methylphenoxy)butyl]-4-oxoheptanamide;4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxobutanamide;(2,5-dioxopyrrolidin-1-yl) 4-(4-methylphenyl)butanoate;N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide;N-[4-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-4-oxobutyl]-4-(4-methylphenyl)butanamide;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[4-(4-methylphenoxy)butyl]cyclohexane-1-carboxamide;8-(2,5-dioxopyrrol-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxooctanamide;4-(4-methylphenoxy)butan-1-amine;4-[4-(4-methylphenoxy)butylamino]-4-oxobutanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;4-(4-methylphenyl)butanoic acid;prop-1-ene?
The InChIKey is NVOYRNYTXZAZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O4.C26H44O11.C23H30N2O5.C23H30N2O4.C19H24N2O5.C19H24N2O3.C18H28N2O3.C15H17NO4.C15H21NO4.C13H20N2O.C11H17NO.C11H14O2.C3H6/c1-19-7-9-20(10-8-19)4-2-6-24(30)27-17-3-5-23(29)22-13-11-21(12-14-22)18-28-25(31)15-16-26(28)32;1-24-2-4-25(5-3-24)37-23-22-36-21-20-35-19-18-34-17-16-33-15-14-32-13-12-31-11-10-30-9-8-29-7-6-26(27)28;1-18-7-10-20(11-8-18)30-17-5-3-15-24-21(27)12-9-19(26)6-2-4-16-25-22(28)13-14-23(25)29;1-17-4-10-20(11-5-17)29-15-3-2-14-24-23(28)19-8-6-18(7-9-19)16-25-21(26)12-13-22(25)27;1-14-4-6-15(7-5-14)26-13-3-2-12-20-16(22)8-9-17(23)21-18(24)10-11-19(21)25;1-15-7-9-16(10-8-15)5-4-6-17(22)20-13-2-3-14-21-18(23)11-12-19(21)24;1-15-6-9-17(10-7-15)23-14-3-2-13-20-18(22)11-8-16(21)5-4-12-19;1-11-5-7-12(8-6-11)3-2-4-15(19)20-16-13(17)9-10-14(16)18;1-12-4-6-13(7-5-12)20-11-3-2-10-16-14(17)8-9-15(18)19;1-11-5-7-12(8-6-11)3-2-4-13(16)15-10-9-14;1-10-4-6-11(7-5-10)13-9-3-2-8-12;1-9-5-7-10(8-6-9)3-2-4-11(12)13;1-3-2/h7-10,15-16,21-22H,2-6,11-14,17-18H2,1H3,(H,27,30);2-5H,6-23H2,1H3,(H,27,28);7-8,10-11,13-14H,2-6,9,12,15-17H2,1H3,(H,24,27);4-5,10-13,18-19H,2-3,6-9,14-16H2,1H3,(H,24,28);4-7H,2-3,8-13H2,1H3,(H,20,22);7-12H,2-6,13-14H2,1H3,(H,20,22);6-7,9-10H,2-5,8,11-14,19H2,1H3,(H,20,22);5-8H,2-4,9-10H2,1H3;4-7H,2-3,8-11H2,1H3,(H,16,17)(H,18,19);5-8H,2-4,9-10,14H2,1H3,(H,15,16);4-7H,2-3,8-9,12H2,1H3;5-8H,2-4H2,1H3,(H,12,13);3H,1H2,2H3.
What are the key properties of N-(2-aminoethyl)-4-(4-methylphenyl)butanamide;7-amino-N-[4-(4-methylphenoxy)butyl]-4-oxoheptanamide;4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxobutanamide;(2,5-dioxopyrrolidin-1-yl) 4-(4-methylphenyl)butanoate;N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide;N-[4-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-4-oxobutyl]-4-(4-methylphenyl)butanamide;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[4-(4-methylphenoxy)butyl]cyclohexane-1-carboxamide;8-(2,5-dioxopyrrol-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxooctanamide;4-(4-methylphenoxy)butan-1-amine;4-[4-(4-methylphenoxy)butylamino]-4-oxobutanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;4-(4-methylphenyl)butanoic acid;prop-1-ene?
N-(2-aminoethyl)-4-(4-methylphenyl)butanamide;7-amino-N-[4-(4-methylphenoxy)butyl]-4-oxoheptanamide;4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxobutanamide;(2,5-dioxopyrrolidin-1-yl) 4-(4-methylphenyl)butanoate;N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide;N-[4-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-4-oxobutyl]-4-(4-methylphenyl)butanamide;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[4-(4-methylphenoxy)butyl]cyclohexane-1-carboxamide;8-(2,5-dioxopyrrol-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxooctanamide;4-(4-methylphenoxy)butan-1-amine;4-[4-(4-methylphenoxy)butylamino]-4-oxobutanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;4-(4-methylphenyl)butanoic acid;prop-1-ene has a molecular weight of 3967.99 g/mol, XLogP of 28.60, 121 rotatable bonds, 14 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-(4-methylphenyl)butanamide;7-amino-N-[4-(4-methylphenoxy)butyl]-4-oxoheptanamide;4-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxobutanamide;(2,5-dioxopyrrolidin-1-yl) 4-(4-methylphenyl)butanoate;N-[4-(2,5-dioxopyrrol-1-yl)butyl]-4-(4-methylphenyl)butanamide;N-[4-[4-[(2,5-dioxopyrrol-1-yl)methyl]cyclohexyl]-4-oxobutyl]-4-(4-methylphenyl)butanamide;4-[(2,5-dioxopyrrol-1-yl)methyl]-N-[4-(4-methylphenoxy)butyl]cyclohexane-1-carboxamide;8-(2,5-dioxopyrrol-1-yl)-N-[4-(4-methylphenoxy)butyl]-4-oxooctanamide;4-(4-methylphenoxy)butan-1-amine;4-[4-(4-methylphenoxy)butylamino]-4-oxobutanoic acid;3-[2-[2-[2-[2-[2-[2-[2-[2-(4-methylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;4-(4-methylphenyl)butanoic acid;prop-1-ene is sourced from PubChem (CID 159897981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).