3-cyclopentyl-3-(2,4-dimethylphenyl)-N-methylpropanamide

C17H25NO — CID 82089980

IUPAC3-cyclopentyl-3-(2,4-dimethylphenyl)-N-methylpropanamide
SMILESCNC(=O)CC(c1ccc(C)cc1C)C1CCCC1
InChIInChI=1S/C17H25NO/c1-12-8-9-15(13(2)10-12)16(11-17(19)18-3)14-6-4-5-7-14/h8-10,14,16H,4-7,11H2,1-3H3,(H,18,19)
InChIKeyUDBPIIUZSJODNF-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.71
Rot. Bonds4

About 3-cyclopentyl-3-(2,4-dimethylphenyl)-N-methylpropanamide

3-cyclopentyl-3-(2,4-dimethylphenyl)-N-methylpropanamide (PubChem CID 82089980) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-cyclopentyl-3-(2,4-dimethylphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-cyclopentyl-3-(2,4-dimethylphenyl)-N-methylpropanamide
PubChem CID82089980
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-cyclopentyl-3-(2,4-dimethylphenyl)-N-methylpropanamide
SMILESCNC(=O)CC(c1ccc(C)cc1C)C1CCCC1
InChIInChI=1S/C17H25NO/c1-12-8-9-15(13(2)10-12)16(11-17(19)18-3)14-6-4-5-7-14/h8-10,14,16H,4-7,11H2,1-3H3,(H,18,19)
InChIKeyUDBPIIUZSJODNF-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,5R)-1,5-dicyclohexyl-1,5-bis(2,4-dimethylphenyl)pentan-3-one
CID 97304203
(1S,5R)-1,5-di(cyclobutyl)-1,5-bis(2,4-dimethylphenyl)pentan-3-one
CID 97304157
3-cyclohexyl-3-(2,4-dimethylphenyl)propanamide
CID 82089979
3-(2,4-dimethylphenyl)-N-methylbutanamide
CID 82077150
3-(2,4-dimethylphenyl)-N,4,4-trimethylpentanamide
CID 82086631
cycloheptyl-(2,4-dimethylphenyl)methanol
CID 55199424
1,5-dicyclopentyl-1,5-bis(2-methylphenyl)pentan-3-one
CID 73011663
3-cyclopropyl-3-(2,4-dimethylphenyl)propan-1-amine
CID 82076833
3-cyclopentyl-3-(2-methylphenyl)propanamide
CID 82082222
1,5-di(cyclobutyl)-1,5-bis(2-methylphenyl)pentan-3-one
CID 73011538
3-amino-3-(2,4-dimethylphenyl)-N'-methylpropanehydrazide
CID 116849645
1-cyclohexyl-3-[1-(2,4-dimethylphenyl)ethyl]urea
CID 45153648

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-(2,4-dimethylphenyl)-N-methylpropanamide?
The IUPAC name of 3-cyclopentyl-3-(2,4-dimethylphenyl)-N-methylpropanamide (CID 82089980) is 3-cyclopentyl-3-(2,4-dimethylphenyl)-N-methylpropanamide.
What is the SMILES notation for 3-cyclopentyl-3-(2,4-dimethylphenyl)-N-methylpropanamide?
The canonical SMILES for 3-cyclopentyl-3-(2,4-dimethylphenyl)-N-methylpropanamide is CNC(=O)CC(c1ccc(C)cc1C)C1CCCC1.
What is the InChIKey of 3-cyclopentyl-3-(2,4-dimethylphenyl)-N-methylpropanamide?
The InChIKey is UDBPIIUZSJODNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-8-9-15(13(2)10-12)16(11-17(19)18-3)14-6-4-5-7-14/h8-10,14,16H,4-7,11H2,1-3H3,(H,18,19).
What are the key properties of 3-cyclopentyl-3-(2,4-dimethylphenyl)-N-methylpropanamide?
3-cyclopentyl-3-(2,4-dimethylphenyl)-N-methylpropanamide has a molecular weight of 259.39 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-(2,4-dimethylphenyl)-N-methylpropanamide is sourced from PubChem (CID 82089980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).