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

C20H38N2O2 — CID 11267753

IUPACN-[(3S)-2-oxoazepan-3-yl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C20H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19(23)22-18-15-13-14-17-21-20(18)24/h18H,2-17H2,1H3,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKeyVMZXANXMVLCQNU-SFHVURJKSA-N
MW338.54 g/mol
LogP4.47
Rot. Bonds13

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

N-[(3S)-2-oxoazepan-3-yl]tetradecanamide (PubChem CID 11267753) has the molecular formula C20H38N2O2 and a molecular weight of 338.54 g/mol. Its IUPAC name is N-[(3S)-2-oxoazepan-3-yl]tetradecanamide.

Molecular Properties

Compound NameN-[(3S)-2-oxoazepan-3-yl]tetradecanamide
PubChem CID11267753
Molecular FormulaC20H38N2O2
Molecular Weight338.54 g/mol
Exact Mass338.29
IUPAC NameN-[(3S)-2-oxoazepan-3-yl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)N[C@H]1CCCCNC1=O
InChIInChI=1S/C20H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19(23)22-18-15-13-14-17-21-20(18)24/h18H,2-17H2,1H3,(H,21,24)(H,22,23)/t18-/m0/s1
InChIKeyVMZXANXMVLCQNU-SFHVURJKSA-N
XLogP4.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 54.47
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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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-2-oxoazepan-3-yl]tetradecanamide?
The IUPAC name of N-[(3S)-2-oxoazepan-3-yl]tetradecanamide (CID 11267753) is N-[(3S)-2-oxoazepan-3-yl]tetradecanamide.
What is the SMILES notation for N-[(3S)-2-oxoazepan-3-yl]tetradecanamide?
The canonical SMILES for N-[(3S)-2-oxoazepan-3-yl]tetradecanamide is CCCCCCCCCCCCCC(=O)N[C@H]1CCCCNC1=O.
What is the InChIKey of N-[(3S)-2-oxoazepan-3-yl]tetradecanamide?
The InChIKey is VMZXANXMVLCQNU-SFHVURJKSA-N. The full InChI is InChI=1S/C20H38N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19(23)22-18-15-13-14-17-21-20(18)24/h18H,2-17H2,1H3,(H,21,24)(H,22,23)/t18-/m0/s1.
What are the key properties of N-[(3S)-2-oxoazepan-3-yl]tetradecanamide?
N-[(3S)-2-oxoazepan-3-yl]tetradecanamide has a molecular weight of 338.54 g/mol, XLogP of 4.47, 13 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]tetradecanamide is sourced from PubChem (CID 11267753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).