(Z)-N-[(4S)-2-oxoazepan-4-yl]octadec-9-enamide

C24H44N2O2 — CID 66909977

IUPAC(Z)-N-[(4S)-2-oxoazepan-4-yl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N[C@H]1CCCNC(=O)C1
InChIInChI=1S/C24H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(27)26-22-18-17-20-25-24(28)21-22/h9-10,22H,2-8,11-21H2,1H3,(H,25,28)(H,26,27)/b10-9-/t22-/m0/s1
InChIKeyDOUDKIPZTZQZOB-DYYZXQNHSA-N
MW392.63 g/mol
LogP5.81
Rot. Bonds16

About (Z)-N-[(4S)-2-oxoazepan-4-yl]octadec-9-enamide

(Z)-N-[(4S)-2-oxoazepan-4-yl]octadec-9-enamide (PubChem CID 66909977) has the molecular formula C24H44N2O2 and a molecular weight of 392.63 g/mol. Its IUPAC name is (Z)-N-[(4S)-2-oxoazepan-4-yl]octadec-9-enamide.

Molecular Properties

Compound Name(Z)-N-[(4S)-2-oxoazepan-4-yl]octadec-9-enamide
PubChem CID66909977
Molecular FormulaC24H44N2O2
Molecular Weight392.63 g/mol
Exact Mass392.34
IUPAC Name(Z)-N-[(4S)-2-oxoazepan-4-yl]octadec-9-enamide
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)N[C@H]1CCCNC(=O)C1
InChIInChI=1S/C24H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(27)26-22-18-17-20-25-24(28)21-22/h9-10,22H,2-8,11-21H2,1H3,(H,25,28)(H,26,27)/b10-9-/t22-/m0/s1
InChIKeyDOUDKIPZTZQZOB-DYYZXQNHSA-N
XLogP5.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.63
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-hexadec-9-enoylazepan-2-one
CID 91367749
(E)-N-cyclohexyloctadec-9-enamide
CID 10948482
N-cyclobutylhexadecanamide
CID 67041463
N-cyclobutylicosanamide
CID 10384249
N-(azepan-4-yl)dodecanamide
CID 105060891
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
(3S)-3-hydroxy-2,2-dimethyl-N-[(4S)-2-oxoazepan-4-yl]decanamide
CID 66909938
(9Z,12Z)-octadeca-9,12-dienoic acid;phosphane;pyrrolidin-2-one
CID 174930070
N-[(3S)-2-oxoazepan-3-yl]octadecanamide
CID 11246417
N-cyclopropyl-N'-pentylpentadec-5-enediamide
CID 123554011
(5Z,8E,11E,14E)-N-cyclopropylicosa-5,8,11,14-tetraenamide
CID 124933455

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(4S)-2-oxoazepan-4-yl]octadec-9-enamide?
The IUPAC name of (Z)-N-[(4S)-2-oxoazepan-4-yl]octadec-9-enamide (CID 66909977) is (Z)-N-[(4S)-2-oxoazepan-4-yl]octadec-9-enamide.
What is the SMILES notation for (Z)-N-[(4S)-2-oxoazepan-4-yl]octadec-9-enamide?
The canonical SMILES for (Z)-N-[(4S)-2-oxoazepan-4-yl]octadec-9-enamide is CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H]1CCCNC(=O)C1.
What is the InChIKey of (Z)-N-[(4S)-2-oxoazepan-4-yl]octadec-9-enamide?
The InChIKey is DOUDKIPZTZQZOB-DYYZXQNHSA-N. The full InChI is InChI=1S/C24H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-23(27)26-22-18-17-20-25-24(28)21-22/h9-10,22H,2-8,11-21H2,1H3,(H,25,28)(H,26,27)/b10-9-/t22-/m0/s1.
What are the key properties of (Z)-N-[(4S)-2-oxoazepan-4-yl]octadec-9-enamide?
(Z)-N-[(4S)-2-oxoazepan-4-yl]octadec-9-enamide has a molecular weight of 392.63 g/mol, XLogP of 5.81, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(4S)-2-oxoazepan-4-yl]octadec-9-enamide is sourced from PubChem (CID 66909977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).