N-(4-aminobutyl)-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide;(5Z,8Z,11Z,14Z)-N-[4-[[2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]butyl]icosa-5,8,11,14-tetraenamide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;methane

C87H120N6O11 — CID 161487284

IUPACN-(4-aminobutyl)-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide;(5Z,8Z,11Z,14Z)-N-[4-[[2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]butyl]icosa-5,8,11,14-tetraenamide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;methane
SMILESC.CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCCNC(=O)Cc1onc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.COc1ccc(-c2noc(CC(=O)NCCCCN)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C43H57N3O5.C23H27N3O4.C20H32O2.CH4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-40(47)44-32-21-22-33-45-41(48)34-39-42(35-24-28-37(49-2)29-25-35)43(46-51-39)36-26-30-38(50-3)31-27-36;1-28-18-9-5-16(6-10-18)22-20(15-21(27)25-14-4-3-13-24)30-26-23(22)17-7-11-19(29-2)12-8-17;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h8-9,11-12,14-15,17-18,24-31H,4-7,10,13,16,19-23,32-34H2,1-3H3,(H,44,47)(H,45,48);5-12H,3-4,13-15,24H2,1-2H3,(H,25,27);6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22);1H4/b9-8-,12-11-,15-14-,18-17-;;7-6-,10-9-,13-12-,16-15-;
InChIKeyWFDGXJZKCBDLSD-LIACAXPASA-N
MW1425.95 g/mol
LogP20.00
Rot. Bonds49

About N-(4-aminobutyl)-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide;(5Z,8Z,11Z,14Z)-N-[4-[[2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]butyl]icosa-5,8,11,14-tetraenamide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;methane

N-(4-aminobutyl)-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide;(5Z,8Z,11Z,14Z)-N-[4-[[2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]butyl]icosa-5,8,11,14-tetraenamide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;methane (PubChem CID 161487284) has the molecular formula C87H120N6O11 and a molecular weight of 1425.95 g/mol. Its IUPAC name is N-(4-aminobutyl)-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide;(5Z,8Z,11Z,14Z)-N-[4-[[2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]butyl]icosa-5,8,11,14-tetraenamide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;methane.

Molecular Properties

Compound NameN-(4-aminobutyl)-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide;(5Z,8Z,11Z,14Z)-N-[4-[[2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]butyl]icosa-5,8,11,14-tetraenamide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;methane
PubChem CID161487284
Molecular FormulaC87H120N6O11
Molecular Weight1425.95 g/mol
Exact Mass1424.90
IUPAC NameN-(4-aminobutyl)-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide;(5Z,8Z,11Z,14Z)-N-[4-[[2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]butyl]icosa-5,8,11,14-tetraenamide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;methane
SMILESC.CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCCNC(=O)Cc1onc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.COc1ccc(-c2noc(CC(=O)NCCCCN)c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C43H57N3O5.C23H27N3O4.C20H32O2.CH4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-40(47)44-32-21-22-33-45-41(48)34-39-42(35-24-28-37(49-2)29-25-35)43(46-51-39)36-26-30-38(50-3)31-27-36;1-28-18-9-5-16(6-10-18)22-20(15-21(27)25-14-4-3-13-24)30-26-23(22)17-7-11-19(29-2)12-8-17;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h8-9,11-12,14-15,17-18,24-31H,4-7,10,13,16,19-23,32-34H2,1-3H3,(H,44,47)(H,45,48);5-12H,3-4,13-15,24H2,1-2H3,(H,25,27);6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22);1H4/b9-8-,12-11-,15-14-,18-17-;;7-6-,10-9-,13-12-,16-15-;
InChIKeyWFDGXJZKCBDLSD-LIACAXPASA-N
XLogP20.00
TPSA239.60 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds49
Heavy Atoms104
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001425.95
LogP ≤ 520.00
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze N-(4-aminobutyl)-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide;(5Z,8Z,11Z,14Z)-N-[4-[[2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]butyl]icosa-5,8,11,14-tetraenamide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;methane with MolForge

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Related Compounds

2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-[4-[4-[(6Z,9Z,12Z,15Z)-2-oxohenicosa-6,9,12,15-tetraenyl]phenyl]phenyl]acetamide
CID 158392907
2-[4-[4-(hydroxymethyl)phenyl]-3-(4-methoxyphenyl)-1,2-oxazol-5-yl]-N-[2-[[2-[3-[4-(hydroxymethyl)phenyl]-4-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]ethyl]acetamide
CID 171990986
N-[[(2-aminoacetyl)amino]methyl]-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 155773356
2-aminoethanol;(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;methane
CID 158737731
4-[[(5E,8E,11E,14E)-icosa-5,8,11,14-tetraenoyl]amino]butanoic acid
CID 44634744
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-nonylpropanamide
CID 55554395
1-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]butan-2-one
CID 90334997
4-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]butanoic acid
CID 51064825
(Z)-N-(4-aminobutyl)pentadec-9-enamide
CID 171117158
2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]-N-octylacetamide
CID 16879241
N-(2-aminoethyl)hexadecanamide;(Z)-docos-13-enoic acid
CID 174758491
5-[[(Z)-5-(4-methoxyphenyl)pent-4-enyl]amino]-5-oxopentanoic acid
CID 10380391

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide;(5Z,8Z,11Z,14Z)-N-[4-[[2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]butyl]icosa-5,8,11,14-tetraenamide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;methane?
The IUPAC name of N-(4-aminobutyl)-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide;(5Z,8Z,11Z,14Z)-N-[4-[[2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]butyl]icosa-5,8,11,14-tetraenamide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;methane (CID 161487284) is N-(4-aminobutyl)-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide;(5Z,8Z,11Z,14Z)-N-[4-[[2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]butyl]icosa-5,8,11,14-tetraenamide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;methane.
What is the SMILES notation for N-(4-aminobutyl)-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide;(5Z,8Z,11Z,14Z)-N-[4-[[2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]butyl]icosa-5,8,11,14-tetraenamide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;methane?
The canonical SMILES for N-(4-aminobutyl)-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide;(5Z,8Z,11Z,14Z)-N-[4-[[2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]butyl]icosa-5,8,11,14-tetraenamide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;methane is C.CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NCCCCNC(=O)Cc1onc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.COc1ccc(-c2noc(CC(=O)NCCCCN)c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of N-(4-aminobutyl)-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide;(5Z,8Z,11Z,14Z)-N-[4-[[2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]butyl]icosa-5,8,11,14-tetraenamide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;methane?
The InChIKey is WFDGXJZKCBDLSD-LIACAXPASA-N. The full InChI is InChI=1S/C43H57N3O5.C23H27N3O4.C20H32O2.CH4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-40(47)44-32-21-22-33-45-41(48)34-39-42(35-24-28-37(49-2)29-25-35)43(46-51-39)36-26-30-38(50-3)31-27-36;1-28-18-9-5-16(6-10-18)22-20(15-21(27)25-14-4-3-13-24)30-26-23(22)17-7-11-19(29-2)12-8-17;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h8-9,11-12,14-15,17-18,24-31H,4-7,10,13,16,19-23,32-34H2,1-3H3,(H,44,47)(H,45,48);5-12H,3-4,13-15,24H2,1-2H3,(H,25,27);6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22);1H4/b9-8-,12-11-,15-14-,18-17-;;7-6-,10-9-,13-12-,16-15-;.
What are the key properties of N-(4-aminobutyl)-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide;(5Z,8Z,11Z,14Z)-N-[4-[[2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]butyl]icosa-5,8,11,14-tetraenamide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;methane?
N-(4-aminobutyl)-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide;(5Z,8Z,11Z,14Z)-N-[4-[[2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]butyl]icosa-5,8,11,14-tetraenamide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;methane has a molecular weight of 1425.95 g/mol, XLogP of 20.00, 49 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide;(5Z,8Z,11Z,14Z)-N-[4-[[2-[3,4-bis(4-methoxyphenyl)-1,2-oxazol-5-yl]acetyl]amino]butyl]icosa-5,8,11,14-tetraenamide;(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoic acid;methane is sourced from PubChem (CID 161487284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).