3-chloro-2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide

C14H26ClNO — CID 55110853

IUPAC3-chloro-2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide
SMILESCC1CCC(C(C)C)C(NC(=O)C(C)CCl)C1
InChIInChI=1S/C14H26ClNO/c1-9(2)12-6-5-10(3)7-13(12)16-14(17)11(4)8-15/h9-13H,5-8H2,1-4H3,(H,16,17)
InChIKeyRVTNFHXSDNRXRK-UHFFFAOYSA-N
MW259.82 g/mol
LogP3.44
Rot. Bonds4

About 3-chloro-2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide

3-chloro-2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide (PubChem CID 55110853) has the molecular formula C14H26ClNO and a molecular weight of 259.82 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide
PubChem CID55110853
Molecular FormulaC14H26ClNO
Molecular Weight259.82 g/mol
Exact Mass259.17
IUPAC Name3-chloro-2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide
SMILESCC1CCC(C(C)C)C(NC(=O)C(C)CCl)C1
InChIInChI=1S/C14H26ClNO/c1-9(2)12-6-5-10(3)7-13(12)16-14(17)11(4)8-15/h9-13H,5-8H2,1-4H3,(H,16,17)
InChIKeyRVTNFHXSDNRXRK-UHFFFAOYSA-N
XLogP3.44
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.82
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-chloro-2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide 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

(2S)-2-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 119304536
2-methoxy-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide
CID 113225650
3-chloro-2-methyl-N-(2-methylcyclopropyl)propanamide
CID 62726487
2-amino-4-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)pentanamide
CID 43707055
3-amino-N-(5-methyl-2-propan-2-ylcyclohexyl)butanamide;hydrochloride
CID 119750943
N-(2,4-dimethylcyclohexyl)-3-(ethylamino)-2-methylpropanamide
CID 63998973
(2R)-1-[(5-methyl-2-propan-2-ylcyclohexyl)amino]propan-2-ol
CID 103906936
ethyl 3-[[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]carbamoylamino]butanoate
CID 58004825
3,3-dimethyl-5-[(5-methyl-2-propan-2-ylcyclohexyl)amino]-5-oxopentanoic acid
CID 62934575
5-methyl-N-(2-methylbutyl)-2-propan-2-ylcyclohexan-1-amine
CID 43710072
2,6-dichloro-N-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]benzamide
CID 6932663
N-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]-4-phenylbenzamide
CID 126621339

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide?
The IUPAC name of 3-chloro-2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide (CID 55110853) is 3-chloro-2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide is CC1CCC(C(C)C)C(NC(=O)C(C)CCl)C1.
What is the InChIKey of 3-chloro-2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide?
The InChIKey is RVTNFHXSDNRXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClNO/c1-9(2)12-6-5-10(3)7-13(12)16-14(17)11(4)8-15/h9-13H,5-8H2,1-4H3,(H,16,17).
What are the key properties of 3-chloro-2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide?
3-chloro-2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide has a molecular weight of 259.82 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-(5-methyl-2-propan-2-ylcyclohexyl)propanamide is sourced from PubChem (CID 55110853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).