3-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide

C17H30N2O — CID 109014698

IUPAC3-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESO=C(CCN1CCCCCC1)NCCC1=CCCCC1
InChIInChI=1S/C17H30N2O/c20-17(11-15-19-13-6-1-2-7-14-19)18-12-10-16-8-4-3-5-9-16/h8H,1-7,9-15H2,(H,18,20)
InChIKeyQRCVKUCSHFVUJF-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.26
Rot. Bonds6

About 3-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide

3-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide (PubChem CID 109014698) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 3-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
PubChem CID109014698
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name3-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
SMILESO=C(CCN1CCCCCC1)NCCC1=CCCCC1
InChIInChI=1S/C17H30N2O/c20-17(11-15-19-13-6-1-2-7-14-19)18-12-10-16-8-4-3-5-9-16/h8H,1-7,9-15H2,(H,18,20)
InChIKeyQRCVKUCSHFVUJF-UHFFFAOYSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-3-(4-formylpiperazin-1-yl)propanamide
CID 109014633
N-[2-(cyclohexen-1-yl)ethyl]-3-(1,1-dioxothiazinan-2-yl)propanamide
CID 110687823
N-[2-(cyclohexen-1-yl)ethyl]-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 109014679
5-[2-(cyclohexen-1-yl)ethylamino]-5-oxopentanoic acid
CID 2932918
N-[2-(cyclohexen-1-yl)ethyl]-2-iodoacetamide
CID 64788173
4-chloro-N-[2-(cyclohexen-1-yl)ethyl]butanamide
CID 4277806
3-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 2682905
N-[2-(cyclohexen-1-yl)ethyl]-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106673045
N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopentylamino)propanamide
CID 109013591
3-bromo-N-[2-(cyclopenten-1-yl)ethyl]propanamide
CID 106173068
N'-[2-(cyclohexen-1-yl)ethyl]-N-heptylbutanediamide
CID 3289082
3-(4-chlorophenyl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide
CID 100588830

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The IUPAC name of 3-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide (CID 109014698) is 3-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The canonical SMILES for 3-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide is O=C(CCN1CCCCCC1)NCCC1=CCCCC1.
What is the InChIKey of 3-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
The InChIKey is QRCVKUCSHFVUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c20-17(11-15-19-13-6-1-2-7-14-19)18-12-10-16-8-4-3-5-9-16/h8H,1-7,9-15H2,(H,18,20).
What are the key properties of 3-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide?
3-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide has a molecular weight of 278.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-1-yl)-N-[2-(cyclohexen-1-yl)ethyl]propanamide is sourced from PubChem (CID 109014698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).