3-cyclohexyl-3-(2,4-dimethylphenyl)propanamide

C17H25NO — CID 82089979

IUPAC3-cyclohexyl-3-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(C(CC(N)=O)C2CCCCC2)c(C)c1
InChIInChI=1S/C17H25NO/c1-12-8-9-15(13(2)10-12)16(11-17(18)19)14-6-4-3-5-7-14/h8-10,14,16H,3-7,11H2,1-2H3,(H2,18,19)
InChIKeyPSGUXTMFYFTXMQ-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.84
Rot. Bonds4

About 3-cyclohexyl-3-(2,4-dimethylphenyl)propanamide

3-cyclohexyl-3-(2,4-dimethylphenyl)propanamide (PubChem CID 82089979) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 3-cyclohexyl-3-(2,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-cyclohexyl-3-(2,4-dimethylphenyl)propanamide
PubChem CID82089979
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name3-cyclohexyl-3-(2,4-dimethylphenyl)propanamide
SMILESCc1ccc(C(CC(N)=O)C2CCCCC2)c(C)c1
InChIInChI=1S/C17H25NO/c1-12-8-9-15(13(2)10-12)16(11-17(18)19)14-6-4-3-5-7-14/h8-10,14,16H,3-7,11H2,1-2H3,(H2,18,19)
InChIKeyPSGUXTMFYFTXMQ-UHFFFAOYSA-N
XLogP3.84
TPSA43.09 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 ≤ 53.84
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-cyclopentyl-3-(2,4-dimethylphenyl)-N-methylpropanamide
CID 82089980
3-cyclopentyl-3-(2-methylphenyl)propanamide
CID 82082222
3-cyclopentyl-3-(4-methylphenyl)propanamide
CID 19938383
3-cyclopropyl-3-(2-methylphenyl)propanamide
CID 82076759
cycloheptyl-(2,4-dimethylphenyl)methanol
CID 55199424
3-cyclopropyl-3-(2,4-dimethylphenyl)propan-1-amine
CID 82076833
1,5-dicyclopentyl-1,5-bis(2-methylphenyl)pentan-3-one
CID 73011663
3-cyclohexyl-3-(2,4,6-trimethylphenyl)propanoic acid
CID 82045661
3-cyclopropyl-3-(3,4-dimethylphenyl)propanamide
CID 82079052
2-cyclopentyl-1-(2,4-dimethylphenyl)ethanamine
CID 43825536

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-3-(2,4-dimethylphenyl)propanamide?
The IUPAC name of 3-cyclohexyl-3-(2,4-dimethylphenyl)propanamide (CID 82089979) is 3-cyclohexyl-3-(2,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-cyclohexyl-3-(2,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-cyclohexyl-3-(2,4-dimethylphenyl)propanamide is Cc1ccc(C(CC(N)=O)C2CCCCC2)c(C)c1.
What is the InChIKey of 3-cyclohexyl-3-(2,4-dimethylphenyl)propanamide?
The InChIKey is PSGUXTMFYFTXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-12-8-9-15(13(2)10-12)16(11-17(18)19)14-6-4-3-5-7-14/h8-10,14,16H,3-7,11H2,1-2H3,(H2,18,19).
What are the key properties of 3-cyclohexyl-3-(2,4-dimethylphenyl)propanamide?
3-cyclohexyl-3-(2,4-dimethylphenyl)propanamide has a molecular weight of 259.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-3-(2,4-dimethylphenyl)propanamide is sourced from PubChem (CID 82089979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).