N-[(3S)-2-oxoazepan-3-yl]octadecanamide

C24H46N2O2 — CID 11246417

IUPACN-[(3S)-2-oxoazepan-3-yl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C24H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)26-22-19-17-18-21-25-24(22)28/h22H,2-21H2,1H3,(H,25,28)(H,26,27)/t22-/m0/s1
InChIKeySFLLAYRCHRSKIX-QFIPXVFZSA-N
MW394.64 g/mol
LogP6.03
Rot. Bonds17

About N-[(3S)-2-oxoazepan-3-yl]octadecanamide

N-[(3S)-2-oxoazepan-3-yl]octadecanamide (PubChem CID 11246417) has the molecular formula C24H46N2O2 and a molecular weight of 394.64 g/mol. Its IUPAC name is N-[(3S)-2-oxoazepan-3-yl]octadecanamide.

Molecular Properties

Compound NameN-[(3S)-2-oxoazepan-3-yl]octadecanamide
PubChem CID11246417
Molecular FormulaC24H46N2O2
Molecular Weight394.64 g/mol
Exact Mass394.36
IUPAC NameN-[(3S)-2-oxoazepan-3-yl]octadecanamide
SMILESCCCCCCCCCCCCCCCCCC(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C24H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)26-22-19-17-18-21-25-24(22)28/h22H,2-21H2,1H3,(H,25,28)(H,26,27)/t22-/m0/s1
InChIKeySFLLAYRCHRSKIX-QFIPXVFZSA-N
XLogP6.03
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(2-oxoazepan-3-yl)hexanamide
CID 43704092
N-(2-oxopiperidin-3-yl)butanamide
CID 62054699
6-oxo-6-[(2-oxopiperidin-3-yl)amino]hexanoic acid
CID 55033636
1-decyl-3-[(3S)-2-oxoazepan-3-yl]urea
CID 11392789
(Z)-N-(2-oxoazepan-3-yl)pent-3-enamide
CID 143446170
4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
CID 6930772
(3R)-3-hydroxy-N-[(3R)-2-oxopiperidin-3-yl]hexadecanamide
CID 10595238
3-nonanoylazepan-2-one
CID 21226503
N-(2-oxoazepan-3-yl)-4-pyrrol-1-ylbutanamide
CID 84599618
3-cyclopentyl-N-(2-oxopiperidin-3-yl)propanamide
CID 47478331
N-(2-oxopiperidin-3-yl)-3-sulfanylpropanamide
CID 107027904
(2R)-2-ethyl-N-[(3S)-2-oxoazepan-3-yl]hexanamide
CID 11379810

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxoazepan-3-yl]octadecanamide?
The IUPAC name of N-[(3S)-2-oxoazepan-3-yl]octadecanamide (CID 11246417) is N-[(3S)-2-oxoazepan-3-yl]octadecanamide.
What is the SMILES notation for N-[(3S)-2-oxoazepan-3-yl]octadecanamide?
The canonical SMILES for N-[(3S)-2-oxoazepan-3-yl]octadecanamide is CCCCCCCCCCCCCCCCCC(=O)N[C@H]1CCCCNC1=O.
What is the InChIKey of N-[(3S)-2-oxoazepan-3-yl]octadecanamide?
The InChIKey is SFLLAYRCHRSKIX-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H46N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)26-22-19-17-18-21-25-24(22)28/h22H,2-21H2,1H3,(H,25,28)(H,26,27)/t22-/m0/s1.
What are the key properties of N-[(3S)-2-oxoazepan-3-yl]octadecanamide?
N-[(3S)-2-oxoazepan-3-yl]octadecanamide has a molecular weight of 394.64 g/mol, XLogP of 6.03, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-2-oxoazepan-3-yl]octadecanamide is sourced from PubChem (CID 11246417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).