3-(azepan-1-yl)-N-cyclohexylpropanamide

C15H28N2O — CID 109014005

IUPAC3-(azepan-1-yl)-N-cyclohexylpropanamide
SMILESO=C(CCN1CCCCCC1)NC1CCCCC1
InChIInChI=1S/C15H28N2O/c18-15(16-14-8-4-3-5-9-14)10-13-17-11-6-1-2-7-12-17/h14H,1-13H2,(H,16,18)
InChIKeyOMIXUAQRMFFBIY-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.70
Rot. Bonds4

About 3-(azepan-1-yl)-N-cyclohexylpropanamide

3-(azepan-1-yl)-N-cyclohexylpropanamide (PubChem CID 109014005) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-(azepan-1-yl)-N-cyclohexylpropanamide.

Molecular Properties

Compound Name3-(azepan-1-yl)-N-cyclohexylpropanamide
PubChem CID109014005
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-(azepan-1-yl)-N-cyclohexylpropanamide
SMILESO=C(CCN1CCCCCC1)NC1CCCCC1
InChIInChI=1S/C15H28N2O/c18-15(16-14-8-4-3-5-9-14)10-13-17-11-6-1-2-7-12-17/h14H,1-13H2,(H,16,18)
InChIKeyOMIXUAQRMFFBIY-UHFFFAOYSA-N
XLogP2.70
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 60706788
N-cyclohexyl-3-piperazin-1-ylpropanamide
CID 28807752
N-cyclohexyl-3-(1,4-diazepan-1-yl)propanamide
CID 43162430
N-cyclohexyl-3-[3-(methylamino)piperidin-1-yl]propanamide
CID 62547743
N-(1-methylpiperidin-3-yl)-3-pyrrolidin-1-ylpropanamide
CID 121458775
3-[4-(1-aminoethyl)piperidin-1-yl]-N-cyclohexylpropanamide
CID 63596230
N-cyclopentyl-3-(4-sulfamoylpiperazin-1-yl)propanamide
CID 47358418
N-cyclohexyl-3-(4-piperidin-4-ylpiperazin-1-yl)propanamide
CID 67762492
3-[4-[2-(cyclohexylamino)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 43522437
N-cyclohexyl-3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 112628386

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-1-yl)-N-cyclohexylpropanamide?
The IUPAC name of 3-(azepan-1-yl)-N-cyclohexylpropanamide (CID 109014005) is 3-(azepan-1-yl)-N-cyclohexylpropanamide.
What is the SMILES notation for 3-(azepan-1-yl)-N-cyclohexylpropanamide?
The canonical SMILES for 3-(azepan-1-yl)-N-cyclohexylpropanamide is O=C(CCN1CCCCCC1)NC1CCCCC1.
What is the InChIKey of 3-(azepan-1-yl)-N-cyclohexylpropanamide?
The InChIKey is OMIXUAQRMFFBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c18-15(16-14-8-4-3-5-9-14)10-13-17-11-6-1-2-7-12-17/h14H,1-13H2,(H,16,18).
What are the key properties of 3-(azepan-1-yl)-N-cyclohexylpropanamide?
3-(azepan-1-yl)-N-cyclohexylpropanamide has a molecular weight of 252.40 g/mol, XLogP of 2.70, 4 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-cyclohexylpropanamide is sourced from PubChem (CID 109014005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).