N-(4-methylcyclohexyl)-3-phenylpropanamide

C16H23NO — CID 78786023

IUPACN-(4-methylcyclohexyl)-3-phenylpropanamide
SMILESCC1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C16H23NO/c1-13-7-10-15(11-8-13)17-16(18)12-9-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,17,18)
InChIKeyHQSZNURNTJUDOK-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.31
Rot. Bonds4

About N-(4-methylcyclohexyl)-3-phenylpropanamide

N-(4-methylcyclohexyl)-3-phenylpropanamide (PubChem CID 78786023) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-3-phenylpropanamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-3-phenylpropanamide
PubChem CID78786023
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-(4-methylcyclohexyl)-3-phenylpropanamide
SMILESCC1CCC(NC(=O)CCc2ccccc2)CC1
InChIInChI=1S/C16H23NO/c1-13-7-10-15(11-8-13)17-16(18)12-9-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,17,18)
InChIKeyHQSZNURNTJUDOK-UHFFFAOYSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(bromomethyl)cyclohexyl]-3-phenylpropanamide
CID 112752998
3-phenyl-N-piperidin-4-ylpropanamide
CID 16795625
3-(2-aminophenyl)-N-(4-methylcyclohexyl)propanamide;hydrochloride
CID 120610600
(2S)-2-amino-N-(4-methylcyclohexyl)-4-phenylbutanamide
CID 104983814
N-cyclopropyl-2-phenylacetamide
CID 5175687
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
N-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide
CID 78791745
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328
3-[4-(dimethylamino)phenyl]-N-(3-methylcyclopentyl)propanamide
CID 114549618
N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 108561858
N-(4-methylcyclohexyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18136349
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-3-phenylpropanamide
CID 90634754

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-3-phenylpropanamide?
The IUPAC name of N-(4-methylcyclohexyl)-3-phenylpropanamide (CID 78786023) is N-(4-methylcyclohexyl)-3-phenylpropanamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-3-phenylpropanamide?
The canonical SMILES for N-(4-methylcyclohexyl)-3-phenylpropanamide is CC1CCC(NC(=O)CCc2ccccc2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-3-phenylpropanamide?
The InChIKey is HQSZNURNTJUDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13-7-10-15(11-8-13)17-16(18)12-9-14-5-3-2-4-6-14/h2-6,13,15H,7-12H2,1H3,(H,17,18).
What are the key properties of N-(4-methylcyclohexyl)-3-phenylpropanamide?
N-(4-methylcyclohexyl)-3-phenylpropanamide has a molecular weight of 245.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-3-phenylpropanamide is sourced from PubChem (CID 78786023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).