N-(2-oxoazepan-3-yl)octanamide

C14H26N2O2 — CID 19035131

IUPACN-(2-oxoazepan-3-yl)octanamide
SMILESCCCCCCCC(=O)NC1CCCCNC1=O
InChIInChI=1S/C14H26N2O2/c1-2-3-4-5-6-10-13(17)16-12-9-7-8-11-15-14(12)18/h12H,2-11H2,1H3,(H,15,18)(H,16,17)
InChIKeyMVDRULJBGMOKJF-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.13
Rot. Bonds7

About N-(2-oxoazepan-3-yl)octanamide

N-(2-oxoazepan-3-yl)octanamide (PubChem CID 19035131) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is N-(2-oxoazepan-3-yl)octanamide.

Molecular Properties

Compound NameN-(2-oxoazepan-3-yl)octanamide
PubChem CID19035131
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC NameN-(2-oxoazepan-3-yl)octanamide
SMILESCCCCCCCC(=O)NC1CCCCNC1=O
InChIInChI=1S/C14H26N2O2/c1-2-3-4-5-6-10-13(17)16-12-9-7-8-11-15-14(12)18/h12H,2-11H2,1H3,(H,15,18)(H,16,17)
InChIKeyMVDRULJBGMOKJF-UHFFFAOYSA-N
XLogP2.13
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.13
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-(2-oxoazepan-3-yl)octanamide?
The IUPAC name of N-(2-oxoazepan-3-yl)octanamide (CID 19035131) is N-(2-oxoazepan-3-yl)octanamide.
What is the SMILES notation for N-(2-oxoazepan-3-yl)octanamide?
The canonical SMILES for N-(2-oxoazepan-3-yl)octanamide is CCCCCCCC(=O)NC1CCCCNC1=O.
What is the InChIKey of N-(2-oxoazepan-3-yl)octanamide?
The InChIKey is MVDRULJBGMOKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-2-3-4-5-6-10-13(17)16-12-9-7-8-11-15-14(12)18/h12H,2-11H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-(2-oxoazepan-3-yl)octanamide?
N-(2-oxoazepan-3-yl)octanamide has a molecular weight of 254.37 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxoazepan-3-yl)octanamide is sourced from PubChem (CID 19035131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).