(Z)-N-(6-amino-1-oxohexan-2-yl)octadec-9-enamide

C24H46N2O2 — CID 135254438

IUPAC(Z)-N-(6-amino-1-oxohexan-2-yl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NC(C=O)CCCCN
InChIInChI=1S/C24H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24(28)26-23(22-27)19-17-18-21-25/h9-10,22-23H,2-8,11-21,25H2,1H3,(H,26,28)/b10-9-
InChIKeyNAYDDNJKNPATFO-KTKRTIGZSA-N
MW394.64 g/mol
LogP5.84
Rot. Bonds21

About (Z)-N-(6-amino-1-oxohexan-2-yl)octadec-9-enamide

(Z)-N-(6-amino-1-oxohexan-2-yl)octadec-9-enamide (PubChem CID 135254438) has the molecular formula C24H46N2O2 and a molecular weight of 394.64 g/mol. Its IUPAC name is (Z)-N-(6-amino-1-oxohexan-2-yl)octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-(6-amino-1-oxohexan-2-yl)octadec-9-enamide
PubChem CID135254438
Molecular FormulaC24H46N2O2
Molecular Weight394.64 g/mol
Exact Mass394.36
IUPAC Name(Z)-N-(6-amino-1-oxohexan-2-yl)octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)NC(C=O)CCCCN
InChIInChI=1S/C24H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24(28)26-23(22-27)19-17-18-21-25/h9-10,22-23H,2-8,11-21,25H2,1H3,(H,26,28)/b10-9-
InChIKeyNAYDDNJKNPATFO-KTKRTIGZSA-N
XLogP5.84
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-N-(6-amino-1-oxohexan-2-yl)octadec-9-enamide with MolForge

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Related Compounds

N-(4-amino-1-oxobutan-2-yl)octanamide;methanamine
CID 145435395
N-(1-oxohexan-2-yl)decanamide
CID 57129531
(2S)-6-amino-2-[[(E)-octadec-9-enoyl]amino]hexanoic acid
CID 87767836
(2S)-5-amino-2-[[(Z)-hexadec-9-enoyl]amino]pentanoic acid
CID 171116958
(2S)-5-amino-2-[[(Z)-pentadec-9-enoyl]amino]pentanoic acid
CID 171116957
8-amino-N-[1-(8-aminooctanoylamino)octyl]octanamide
CID 18787747
N-(6-aminohexan-2-yl)octanamide
CID 123172105
N-[6-amino-1-(octadec-9-enylamino)-1-oxohexan-2-yl]octadeca-9,12-dienamide
CID 123190154
(4S)-5-oxo-4-(tetradecanoylamino)pentanoic acid
CID 22885522
(Z)-N-[(2S)-1,4-diamino-1-oxobutan-2-yl]octadec-9-enamide
CID 58668219
(Z)-2-(octadecanoylamino)docos-13-enamide
CID 175456361
(Z)-N-(1-amino-1-oxooctadecan-2-yl)docos-13-enamide
CID 139916190

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(6-amino-1-oxohexan-2-yl)octadec-9-enamide?
The IUPAC name of (Z)-N-(6-amino-1-oxohexan-2-yl)octadec-9-enamide (CID 135254438) is (Z)-N-(6-amino-1-oxohexan-2-yl)octadec-9-enamide.
What is the SMILES notation for (Z)-N-(6-amino-1-oxohexan-2-yl)octadec-9-enamide?
The canonical SMILES for (Z)-N-(6-amino-1-oxohexan-2-yl)octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)NC(C=O)CCCCN.
What is the InChIKey of (Z)-N-(6-amino-1-oxohexan-2-yl)octadec-9-enamide?
The InChIKey is NAYDDNJKNPATFO-KTKRTIGZSA-N. The full InChI is InChI=1S/C24H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24(28)26-23(22-27)19-17-18-21-25/h9-10,22-23H,2-8,11-21,25H2,1H3,(H,26,28)/b10-9-.
What are the key properties of (Z)-N-(6-amino-1-oxohexan-2-yl)octadec-9-enamide?
(Z)-N-(6-amino-1-oxohexan-2-yl)octadec-9-enamide has a molecular weight of 394.64 g/mol, XLogP of 5.84, 21 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(6-amino-1-oxohexan-2-yl)octadec-9-enamide is sourced from PubChem (CID 135254438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).