3-chloro-N-(3-cyclopentylpropyl)-2,2-dimethylpropanamide

C13H24ClNO — CID 106009639

IUPAC3-chloro-N-(3-cyclopentylpropyl)-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NCCCC1CCCC1
InChIInChI=1S/C13H24ClNO/c1-13(2,10-14)12(16)15-9-5-8-11-6-3-4-7-11/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyUDIYDAQLAHVQNM-UHFFFAOYSA-N
MW245.79 g/mol
LogP3.34
Rot. Bonds6

About 3-chloro-N-(3-cyclopentylpropyl)-2,2-dimethylpropanamide

3-chloro-N-(3-cyclopentylpropyl)-2,2-dimethylpropanamide (PubChem CID 106009639) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is 3-chloro-N-(3-cyclopentylpropyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-(3-cyclopentylpropyl)-2,2-dimethylpropanamide
PubChem CID106009639
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC Name3-chloro-N-(3-cyclopentylpropyl)-2,2-dimethylpropanamide
SMILESCC(C)(CCl)C(=O)NCCCC1CCCC1
InChIInChI=1S/C13H24ClNO/c1-13(2,10-14)12(16)15-9-5-8-11-6-3-4-7-11/h11H,3-10H2,1-2H3,(H,15,16)
InChIKeyUDIYDAQLAHVQNM-UHFFFAOYSA-N
XLogP3.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-N-(3-cyclopentylpropyl)-2,2-dimethylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]cyclohexanecarboxamide
CID 108571121
2-(aminomethyl)-N-(3-cyclopentylpropyl)-2-ethylbutanamide
CID 113322317
4-chloro-N-(3-cyclopentylpropyl)butanamide
CID 106009634
3-cyclohexylpropylcarbamic acid
CID 54479876
(2R)-2-amino-N-(3-cyclopentylpropyl)-3,3-dimethylbutanamide
CID 114137096
N-[2-[(3-chloro-2,2-dimethylpropanoyl)amino]ethyl]oxolane-2-carboxamide
CID 108573698
3-chloro-2,2-dimethyl-N-(5,5,5-trifluoropentyl)propanamide
CID 115517695
(2S)-2-amino-N-(3-cyclopentylpropyl)propanamide
CID 103795255
3-chloro-2,2-dimethyl-N-[(2-methylcyclohexyl)methyl]propanamide
CID 63665922
3-chloro-2,2-dimethyl-N-(oxan-4-ylmethyl)propanamide
CID 63712064
1-(3-cyclopentylpropyl)-3-(4-hydroxy-2,2-dimethylpentyl)urea
CID 111479340
(1-deuterio-2-methylpropan-2-yl) N-(3-cyclohexylpropyl)carbamate
CID 164901187

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-cyclopentylpropyl)-2,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-(3-cyclopentylpropyl)-2,2-dimethylpropanamide (CID 106009639) is 3-chloro-N-(3-cyclopentylpropyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-(3-cyclopentylpropyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-(3-cyclopentylpropyl)-2,2-dimethylpropanamide is CC(C)(CCl)C(=O)NCCCC1CCCC1.
What is the InChIKey of 3-chloro-N-(3-cyclopentylpropyl)-2,2-dimethylpropanamide?
The InChIKey is UDIYDAQLAHVQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c1-13(2,10-14)12(16)15-9-5-8-11-6-3-4-7-11/h11H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 3-chloro-N-(3-cyclopentylpropyl)-2,2-dimethylpropanamide?
3-chloro-N-(3-cyclopentylpropyl)-2,2-dimethylpropanamide has a molecular weight of 245.79 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-cyclopentylpropyl)-2,2-dimethylpropanamide is sourced from PubChem (CID 106009639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).