3-cyclopentyl-N,N-diheptylpropanamide

C22H43NO — CID 532988

IUPAC3-cyclopentyl-N,N-diheptylpropanamide
SMILESCCCCCCCN(CCCCCCC)C(=O)CCC1CCCC1
InChIInChI=1S/C22H43NO/c1-3-5-7-9-13-19-23(20-14-10-8-6-4-2)22(24)18-17-21-15-11-12-16-21/h21H,3-20H2,1-2H3
InChIKeyXEVNPAKTLRPCEN-UHFFFAOYSA-N
MW337.59 g/mol
LogP6.73
Rot. Bonds15

About 3-cyclopentyl-N,N-diheptylpropanamide

3-cyclopentyl-N,N-diheptylpropanamide (PubChem CID 532988) has the molecular formula C22H43NO and a molecular weight of 337.59 g/mol. Its IUPAC name is 3-cyclopentyl-N,N-diheptylpropanamide.

Molecular Properties

Compound Name3-cyclopentyl-N,N-diheptylpropanamide
PubChem CID532988
Molecular FormulaC22H43NO
Molecular Weight337.59 g/mol
Exact Mass337.33
IUPAC Name3-cyclopentyl-N,N-diheptylpropanamide
SMILESCCCCCCCN(CCCCCCC)C(=O)CCC1CCCC1
InChIInChI=1S/C22H43NO/c1-3-5-7-9-13-19-23(20-14-10-8-6-4-2)22(24)18-17-21-15-11-12-16-21/h21H,3-20H2,1-2H3
InChIKeyXEVNPAKTLRPCEN-UHFFFAOYSA-N
XLogP6.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.59
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyl-N,N-dipentylpropanamide
CID 4248024
2-cyclohexyl-N-heptyl-N-(5-hydroxypentyl)acetamide
CID 10314256
N,N-di(undecyl)butanamide
CID 533369
N,N-di(nonyl)butanamide
CID 533367
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-di(undecyl)pentanamide
CID 532896
N,N-dioctyltetradecanamide
CID 169083302
1-cyclopentylpentadecan-3-one
CID 114969105
N,N-dibutyl-2-cyclopentylacetamide
CID 13315634
N-butyl-N-octyldecanamide
CID 18913402
4-bromo-N,N-didecylbutanamide
CID 168865726

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N,N-diheptylpropanamide?
The IUPAC name of 3-cyclopentyl-N,N-diheptylpropanamide (CID 532988) is 3-cyclopentyl-N,N-diheptylpropanamide.
What is the SMILES notation for 3-cyclopentyl-N,N-diheptylpropanamide?
The canonical SMILES for 3-cyclopentyl-N,N-diheptylpropanamide is CCCCCCCN(CCCCCCC)C(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N,N-diheptylpropanamide?
The InChIKey is XEVNPAKTLRPCEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H43NO/c1-3-5-7-9-13-19-23(20-14-10-8-6-4-2)22(24)18-17-21-15-11-12-16-21/h21H,3-20H2,1-2H3.
What are the key properties of 3-cyclopentyl-N,N-diheptylpropanamide?
3-cyclopentyl-N,N-diheptylpropanamide has a molecular weight of 337.59 g/mol, XLogP of 6.73, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N,N-diheptylpropanamide is sourced from PubChem (CID 532988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).