3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide

C23H42N2O2 — CID 5183874

IUPAC3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide
SMILESO=C(CCC1CCCC1)NCCCCCCCNC(=O)CCC1CCCC1
InChIInChI=1S/C23H42N2O2/c26-22(16-14-20-10-4-5-11-20)24-18-8-2-1-3-9-19-25-23(27)17-15-21-12-6-7-13-21/h20-21H,1-19H2,(H,24,26)(H,25,27)
InChIKeyGRRQAZKMQCECLT-UHFFFAOYSA-N
MW378.60 g/mol
LogP5.11
Rot. Bonds14

About 3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide

3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide (PubChem CID 5183874) has the molecular formula C23H42N2O2 and a molecular weight of 378.60 g/mol. Its IUPAC name is 3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide
PubChem CID5183874
Molecular FormulaC23H42N2O2
Molecular Weight378.60 g/mol
Exact Mass378.32
IUPAC Name3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide
SMILESO=C(CCC1CCCC1)NCCCCCCCNC(=O)CCC1CCCC1
InChIInChI=1S/C23H42N2O2/c26-22(16-14-20-10-4-5-11-20)24-18-8-2-1-3-9-19-25-23(27)17-15-21-12-6-7-13-21/h20-21H,1-19H2,(H,24,26)(H,25,27)
InChIKeyGRRQAZKMQCECLT-UHFFFAOYSA-N
XLogP5.11
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 55.11
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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Related Compounds

6-(3-cyclopentylpropanoylamino)hexanoic acid
CID 16784943
7-(3-cyclopentylpropanoylamino)heptanoic acid
CID 24697400
3-cyclohexyl-N-undecylpropanamide
CID 5146202
6-(4-cyclopentylbutanoylamino)hexanoic acid
CID 119220158
N-(2-chloroethyl)-3-cyclohexylpropanamide
CID 61288292
N-(4-chloropentyl)-3-cyclopentylpropanamide
CID 106129653
3-cyclohexyl-N-(3-sulfamoylpropyl)propanamide
CID 47337120
N-(3-cyclopentylpropyl)-3-piperidin-3-ylpropanamide
CID 106011682
N-(3-aminopropyl)-4-cyclopentylbutanamide
CID 119409090
4-(3-cyclodecylpropylamino)-4-oxobutanoic acid
CID 146506489
4-chloro-N-(3-cyclopentylpropyl)butanamide
CID 106009634
3-cyclohexyl-N-(5-hydroxy-4-methylpentyl)propanamide
CID 113340801

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide (CID 5183874) is 3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide is O=C(CCC1CCCC1)NCCCCCCCNC(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide?
The InChIKey is GRRQAZKMQCECLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N2O2/c26-22(16-14-20-10-4-5-11-20)24-18-8-2-1-3-9-19-25-23(27)17-15-21-12-6-7-13-21/h20-21H,1-19H2,(H,24,26)(H,25,27).
What are the key properties of 3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide?
3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide has a molecular weight of 378.60 g/mol, XLogP of 5.11, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[7-(3-cyclopentylpropanoylamino)heptyl]propanamide is sourced from PubChem (CID 5183874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).