3-cyclopentyl-N,N-bis(2-ethylhexyl)propanamide

C24H47NO — CID 532987

IUPAC3-cyclopentyl-N,N-bis(2-ethylhexyl)propanamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)CCC1CCCC1
InChIInChI=1S/C24H47NO/c1-5-9-13-21(7-3)19-25(20-22(8-4)14-10-6-2)24(26)18-17-23-15-11-12-16-23/h21-23H,5-20H2,1-4H3
InChIKeyICOLSKRERSRGSK-UHFFFAOYSA-N
MW365.65 g/mol
LogP7.22
Rot. Bonds15

About 3-cyclopentyl-N,N-bis(2-ethylhexyl)propanamide

3-cyclopentyl-N,N-bis(2-ethylhexyl)propanamide (PubChem CID 532987) has the molecular formula C24H47NO and a molecular weight of 365.65 g/mol. Its IUPAC name is 3-cyclopentyl-N,N-bis(2-ethylhexyl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N,N-bis(2-ethylhexyl)propanamide
PubChem CID532987
Molecular FormulaC24H47NO
Molecular Weight365.65 g/mol
Exact Mass365.37
IUPAC Name3-cyclopentyl-N,N-bis(2-ethylhexyl)propanamide
SMILESCCCCC(CC)CN(CC(CC)CCCC)C(=O)CCC1CCCC1
InChIInChI=1S/C24H47NO/c1-5-9-13-21(7-3)19-25(20-22(8-4)14-10-6-2)24(26)18-17-23-15-11-12-16-23/h21-23H,5-20H2,1-4H3
InChIKeyICOLSKRERSRGSK-UHFFFAOYSA-N
XLogP7.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.65
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-cyclopentyl-N,N-bis(2-ethylhexyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N,N-bis(2-ethylhexyl)propanamide?
The IUPAC name of 3-cyclopentyl-N,N-bis(2-ethylhexyl)propanamide (CID 532987) is 3-cyclopentyl-N,N-bis(2-ethylhexyl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N,N-bis(2-ethylhexyl)propanamide?
The canonical SMILES for 3-cyclopentyl-N,N-bis(2-ethylhexyl)propanamide is CCCCC(CC)CN(CC(CC)CCCC)C(=O)CCC1CCCC1.
What is the InChIKey of 3-cyclopentyl-N,N-bis(2-ethylhexyl)propanamide?
The InChIKey is ICOLSKRERSRGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H47NO/c1-5-9-13-21(7-3)19-25(20-22(8-4)14-10-6-2)24(26)18-17-23-15-11-12-16-23/h21-23H,5-20H2,1-4H3.
What are the key properties of 3-cyclopentyl-N,N-bis(2-ethylhexyl)propanamide?
3-cyclopentyl-N,N-bis(2-ethylhexyl)propanamide has a molecular weight of 365.65 g/mol, XLogP of 7.22, 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-bis(2-ethylhexyl)propanamide is sourced from PubChem (CID 532987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).