N-(1-adamantyl)-N-ethylprop-2-enamide;N-benzyl-N-heptylprop-2-enamide;N-butyl-N-cyclohexylprop-2-enamide;N,N-diethylprop-2-enamide;N-heptyl-N-methylprop-2-enamide;N-methyl-N-(1-phenylethyl)prop-2-enamide;1-morpholin-4-ylprop-2-en-1-one;N-octadecylprop-2-enamide;1-piperidin-1-ylprop-2-en-1-one;N-[(E)-4-[prop-2-enoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide

C127H207N11O12 — CID 163980803

IUPACN-(1-adamantyl)-N-ethylprop-2-enamide;N-benzyl-N-heptylprop-2-enamide;N-butyl-N-cyclohexylprop-2-enamide;N,N-diethylprop-2-enamide;N-heptyl-N-methylprop-2-enamide;N-methyl-N-(1-phenylethyl)prop-2-enamide;1-morpholin-4-ylprop-2-en-1-one;N-octadecylprop-2-enamide;1-piperidin-1-ylprop-2-en-1-one;N-[(E)-4-[prop-2-enoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide
SMILESC=CC(=O)N(C)C(C)c1ccccc1.C=CC(=O)N(C)CCCCCCC.C=CC(=O)N(CC)C12CC3CC(CC(C3)C1)C2.C=CC(=O)N(CC)CC.C=CC(=O)N(CCCC)C1CCCCC1.C=CC(=O)N(CCCCCCC)Cc1ccccc1.C=CC(=O)N1CCCCC1.C=CC(=O)N1CCOCC1.C=CC(=O)NCCCCCCCCCCCCCCCCCC.C=CCN(C/C=C/CN(CC=C)C(=O)C=C)C(=O)C=C
InChIInChI=1S/C21H41NO.C17H25NO.C16H22N2O2.C15H23NO.C13H23NO.C12H15NO.C11H21NO.C8H13NO.C7H11NO2.C7H13NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(23)4-2;1-3-5-6-7-11-14-18(17(19)4-2)15-16-12-9-8-10-13-16;1-5-11-17(15(19)7-3)13-9-10-14-18(12-6-2)16(20)8-4;1-3-14(17)16(4-2)15-8-11-5-12(9-15)7-13(6-11)10-15;1-3-5-11-14(13(15)4-2)12-9-7-6-8-10-12;1-4-12(14)13(3)10(2)11-8-6-5-7-9-11;1-4-6-7-8-9-10-12(3)11(13)5-2;1-2-8(10)9-6-4-3-5-7-9;1-2-7(9)8-3-5-10-6-4-8;1-4-7(9)8(5-2)6-3/h4H,2-3,5-20H2,1H3,(H,22,23);4,8-10,12-13H,2-3,5-7,11,14-15H2,1H3;5-10H,1-4,11-14H2;3,11-13H,1,4-10H2,2H3;4,12H,2-3,5-11H2,1H3;4-10H,1H2,2-3H3;5H,2,4,6-10H2,1,3H3;2H,1,3-7H2;2H,1,3-6H2;4H,1,5-6H2,2-3H3/b;;10-9+;;;;;;;
InChIKeySYFBOCKNRRKLMB-RXEQTLNISA-N
MW2080.12 g/mol
LogP26.04
Rot. Bonds60

About N-(1-adamantyl)-N-ethylprop-2-enamide;N-benzyl-N-heptylprop-2-enamide;N-butyl-N-cyclohexylprop-2-enamide;N,N-diethylprop-2-enamide;N-heptyl-N-methylprop-2-enamide;N-methyl-N-(1-phenylethyl)prop-2-enamide;1-morpholin-4-ylprop-2-en-1-one;N-octadecylprop-2-enamide;1-piperidin-1-ylprop-2-en-1-one;N-[(E)-4-[prop-2-enoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide

N-(1-adamantyl)-N-ethylprop-2-enamide;N-benzyl-N-heptylprop-2-enamide;N-butyl-N-cyclohexylprop-2-enamide;N,N-diethylprop-2-enamide;N-heptyl-N-methylprop-2-enamide;N-methyl-N-(1-phenylethyl)prop-2-enamide;1-morpholin-4-ylprop-2-en-1-one;N-octadecylprop-2-enamide;1-piperidin-1-ylprop-2-en-1-one;N-[(E)-4-[prop-2-enoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide (PubChem CID 163980803) has the molecular formula C127H207N11O12 and a molecular weight of 2080.12 g/mol. Its IUPAC name is N-(1-adamantyl)-N-ethylprop-2-enamide;N-benzyl-N-heptylprop-2-enamide;N-butyl-N-cyclohexylprop-2-enamide;N,N-diethylprop-2-enamide;N-heptyl-N-methylprop-2-enamide;N-methyl-N-(1-phenylethyl)prop-2-enamide;1-morpholin-4-ylprop-2-en-1-one;N-octadecylprop-2-enamide;1-piperidin-1-ylprop-2-en-1-one;N-[(E)-4-[prop-2-enoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound NameN-(1-adamantyl)-N-ethylprop-2-enamide;N-benzyl-N-heptylprop-2-enamide;N-butyl-N-cyclohexylprop-2-enamide;N,N-diethylprop-2-enamide;N-heptyl-N-methylprop-2-enamide;N-methyl-N-(1-phenylethyl)prop-2-enamide;1-morpholin-4-ylprop-2-en-1-one;N-octadecylprop-2-enamide;1-piperidin-1-ylprop-2-en-1-one;N-[(E)-4-[prop-2-enoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide
PubChem CID163980803
Molecular FormulaC127H207N11O12
Molecular Weight2080.12 g/mol
Exact Mass2078.59
IUPAC NameN-(1-adamantyl)-N-ethylprop-2-enamide;N-benzyl-N-heptylprop-2-enamide;N-butyl-N-cyclohexylprop-2-enamide;N,N-diethylprop-2-enamide;N-heptyl-N-methylprop-2-enamide;N-methyl-N-(1-phenylethyl)prop-2-enamide;1-morpholin-4-ylprop-2-en-1-one;N-octadecylprop-2-enamide;1-piperidin-1-ylprop-2-en-1-one;N-[(E)-4-[prop-2-enoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide
SMILESC=CC(=O)N(C)C(C)c1ccccc1.C=CC(=O)N(C)CCCCCCC.C=CC(=O)N(CC)C12CC3CC(CC(C3)C1)C2.C=CC(=O)N(CC)CC.C=CC(=O)N(CCCC)C1CCCCC1.C=CC(=O)N(CCCCCCC)Cc1ccccc1.C=CC(=O)N1CCCCC1.C=CC(=O)N1CCOCC1.C=CC(=O)NCCCCCCCCCCCCCCCCCC.C=CCN(C/C=C/CN(CC=C)C(=O)C=C)C(=O)C=C
InChIInChI=1S/C21H41NO.C17H25NO.C16H22N2O2.C15H23NO.C13H23NO.C12H15NO.C11H21NO.C8H13NO.C7H11NO2.C7H13NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(23)4-2;1-3-5-6-7-11-14-18(17(19)4-2)15-16-12-9-8-10-13-16;1-5-11-17(15(19)7-3)13-9-10-14-18(12-6-2)16(20)8-4;1-3-14(17)16(4-2)15-8-11-5-12(9-15)7-13(6-11)10-15;1-3-5-11-14(13(15)4-2)12-9-7-6-8-10-12;1-4-12(14)13(3)10(2)11-8-6-5-7-9-11;1-4-6-7-8-9-10-12(3)11(13)5-2;1-2-8(10)9-6-4-3-5-7-9;1-2-7(9)8-3-5-10-6-4-8;1-4-7(9)8(5-2)6-3/h4H,2-3,5-20H2,1H3,(H,22,23);4,8-10,12-13H,2-3,5-7,11,14-15H2,1H3;5-10H,1-4,11-14H2;3,11-13H,1,4-10H2,2H3;4,12H,2-3,5-11H2,1H3;4-10H,1H2,2-3H3;5H,2,4,6-10H2,1,3H3;2H,1,3-7H2;2H,1,3-6H2;4H,1,5-6H2,2-3H3/b;;10-9+;;;;;;;
InChIKeySYFBOCKNRRKLMB-RXEQTLNISA-N
XLogP26.04
TPSA241.43 Ų
H-Bond Donors1
H-Bond Acceptors12
Rotatable Bonds60
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002080.12
LogP ≤ 526.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-(1-adamantyl)-N-ethylprop-2-enamide;N-benzyl-N-heptylprop-2-enamide;N-butyl-N-cyclohexylprop-2-enamide;N,N-diethylprop-2-enamide;N-heptyl-N-methylprop-2-enamide;N-methyl-N-(1-phenylethyl)prop-2-enamide;1-morpholin-4-ylprop-2-en-1-one;N-octadecylprop-2-enamide;1-piperidin-1-ylprop-2-en-1-one;N-[(E)-4-[prop-2-enoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-N-ethylprop-2-enamide;N-benzyl-N-heptylprop-2-enamide;N-butyl-N-cyclohexylprop-2-enamide;N,N-diethylprop-2-enamide;N-heptyl-N-methylprop-2-enamide;N-methyl-N-(1-phenylethyl)prop-2-enamide;1-morpholin-4-ylprop-2-en-1-one;N-octadecylprop-2-enamide;1-piperidin-1-ylprop-2-en-1-one;N-[(E)-4-[prop-2-enoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide?
The IUPAC name of N-(1-adamantyl)-N-ethylprop-2-enamide;N-benzyl-N-heptylprop-2-enamide;N-butyl-N-cyclohexylprop-2-enamide;N,N-diethylprop-2-enamide;N-heptyl-N-methylprop-2-enamide;N-methyl-N-(1-phenylethyl)prop-2-enamide;1-morpholin-4-ylprop-2-en-1-one;N-octadecylprop-2-enamide;1-piperidin-1-ylprop-2-en-1-one;N-[(E)-4-[prop-2-enoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide (CID 163980803) is N-(1-adamantyl)-N-ethylprop-2-enamide;N-benzyl-N-heptylprop-2-enamide;N-butyl-N-cyclohexylprop-2-enamide;N,N-diethylprop-2-enamide;N-heptyl-N-methylprop-2-enamide;N-methyl-N-(1-phenylethyl)prop-2-enamide;1-morpholin-4-ylprop-2-en-1-one;N-octadecylprop-2-enamide;1-piperidin-1-ylprop-2-en-1-one;N-[(E)-4-[prop-2-enoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for N-(1-adamantyl)-N-ethylprop-2-enamide;N-benzyl-N-heptylprop-2-enamide;N-butyl-N-cyclohexylprop-2-enamide;N,N-diethylprop-2-enamide;N-heptyl-N-methylprop-2-enamide;N-methyl-N-(1-phenylethyl)prop-2-enamide;1-morpholin-4-ylprop-2-en-1-one;N-octadecylprop-2-enamide;1-piperidin-1-ylprop-2-en-1-one;N-[(E)-4-[prop-2-enoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide?
The canonical SMILES for N-(1-adamantyl)-N-ethylprop-2-enamide;N-benzyl-N-heptylprop-2-enamide;N-butyl-N-cyclohexylprop-2-enamide;N,N-diethylprop-2-enamide;N-heptyl-N-methylprop-2-enamide;N-methyl-N-(1-phenylethyl)prop-2-enamide;1-morpholin-4-ylprop-2-en-1-one;N-octadecylprop-2-enamide;1-piperidin-1-ylprop-2-en-1-one;N-[(E)-4-[prop-2-enoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide is C=CC(=O)N(C)C(C)c1ccccc1.C=CC(=O)N(C)CCCCCCC.C=CC(=O)N(CC)C12CC3CC(CC(C3)C1)C2.C=CC(=O)N(CC)CC.C=CC(=O)N(CCCC)C1CCCCC1.C=CC(=O)N(CCCCCCC)Cc1ccccc1.C=CC(=O)N1CCCCC1.C=CC(=O)N1CCOCC1.C=CC(=O)NCCCCCCCCCCCCCCCCCC.C=CCN(C/C=C/CN(CC=C)C(=O)C=C)C(=O)C=C.
What is the InChIKey of N-(1-adamantyl)-N-ethylprop-2-enamide;N-benzyl-N-heptylprop-2-enamide;N-butyl-N-cyclohexylprop-2-enamide;N,N-diethylprop-2-enamide;N-heptyl-N-methylprop-2-enamide;N-methyl-N-(1-phenylethyl)prop-2-enamide;1-morpholin-4-ylprop-2-en-1-one;N-octadecylprop-2-enamide;1-piperidin-1-ylprop-2-en-1-one;N-[(E)-4-[prop-2-enoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide?
The InChIKey is SYFBOCKNRRKLMB-RXEQTLNISA-N. The full InChI is InChI=1S/C21H41NO.C17H25NO.C16H22N2O2.C15H23NO.C13H23NO.C12H15NO.C11H21NO.C8H13NO.C7H11NO2.C7H13NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22-21(23)4-2;1-3-5-6-7-11-14-18(17(19)4-2)15-16-12-9-8-10-13-16;1-5-11-17(15(19)7-3)13-9-10-14-18(12-6-2)16(20)8-4;1-3-14(17)16(4-2)15-8-11-5-12(9-15)7-13(6-11)10-15;1-3-5-11-14(13(15)4-2)12-9-7-6-8-10-12;1-4-12(14)13(3)10(2)11-8-6-5-7-9-11;1-4-6-7-8-9-10-12(3)11(13)5-2;1-2-8(10)9-6-4-3-5-7-9;1-2-7(9)8-3-5-10-6-4-8;1-4-7(9)8(5-2)6-3/h4H,2-3,5-20H2,1H3,(H,22,23);4,8-10,12-13H,2-3,5-7,11,14-15H2,1H3;5-10H,1-4,11-14H2;3,11-13H,1,4-10H2,2H3;4,12H,2-3,5-11H2,1H3;4-10H,1H2,2-3H3;5H,2,4,6-10H2,1,3H3;2H,1,3-7H2;2H,1,3-6H2;4H,1,5-6H2,2-3H3/b;;10-9+;;;;;;;.
What are the key properties of N-(1-adamantyl)-N-ethylprop-2-enamide;N-benzyl-N-heptylprop-2-enamide;N-butyl-N-cyclohexylprop-2-enamide;N,N-diethylprop-2-enamide;N-heptyl-N-methylprop-2-enamide;N-methyl-N-(1-phenylethyl)prop-2-enamide;1-morpholin-4-ylprop-2-en-1-one;N-octadecylprop-2-enamide;1-piperidin-1-ylprop-2-en-1-one;N-[(E)-4-[prop-2-enoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide?
N-(1-adamantyl)-N-ethylprop-2-enamide;N-benzyl-N-heptylprop-2-enamide;N-butyl-N-cyclohexylprop-2-enamide;N,N-diethylprop-2-enamide;N-heptyl-N-methylprop-2-enamide;N-methyl-N-(1-phenylethyl)prop-2-enamide;1-morpholin-4-ylprop-2-en-1-one;N-octadecylprop-2-enamide;1-piperidin-1-ylprop-2-en-1-one;N-[(E)-4-[prop-2-enoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide has a molecular weight of 2080.12 g/mol, XLogP of 26.04, 60 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-N-ethylprop-2-enamide;N-benzyl-N-heptylprop-2-enamide;N-butyl-N-cyclohexylprop-2-enamide;N,N-diethylprop-2-enamide;N-heptyl-N-methylprop-2-enamide;N-methyl-N-(1-phenylethyl)prop-2-enamide;1-morpholin-4-ylprop-2-en-1-one;N-octadecylprop-2-enamide;1-piperidin-1-ylprop-2-en-1-one;N-[(E)-4-[prop-2-enoyl(prop-2-enyl)amino]but-2-enyl]-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 163980803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).