N-(4-hydroxy-4-methylcyclohexyl)-4-phenylbutanamide

C17H25NO2 — CID 75482244

IUPACN-(4-hydroxy-4-methylcyclohexyl)-4-phenylbutanamide
SMILESCC1(O)CCC(NC(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C17H25NO2/c1-17(20)12-10-15(11-13-17)18-16(19)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,15,20H,5,8-13H2,1H3,(H,18,19)
InChIKeyXWDZFOUCZKHBHT-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.82
Rot. Bonds5

About N-(4-hydroxy-4-methylcyclohexyl)-4-phenylbutanamide

N-(4-hydroxy-4-methylcyclohexyl)-4-phenylbutanamide (PubChem CID 75482244) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-(4-hydroxy-4-methylcyclohexyl)-4-phenylbutanamide.

Molecular Properties

Compound NameN-(4-hydroxy-4-methylcyclohexyl)-4-phenylbutanamide
PubChem CID75482244
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-(4-hydroxy-4-methylcyclohexyl)-4-phenylbutanamide
SMILESCC1(O)CCC(NC(=O)CCCc2ccccc2)CC1
InChIInChI=1S/C17H25NO2/c1-17(20)12-10-15(11-13-17)18-16(19)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,15,20H,5,8-13H2,1H3,(H,18,19)
InChIKeyXWDZFOUCZKHBHT-UHFFFAOYSA-N
XLogP2.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethylcyclopentyl)-4-phenylbutanamide
CID 115880624
N-(1-methylpiperidin-4-yl)-4-phenylbutanamide
CID 2971184
N-(1-ethylpiperidin-4-yl)-4-phenylbutanamide
CID 17250229
N-(azepan-4-yl)-4-phenylbutanamide
CID 105059135
6-phenyl-N-piperidin-4-ylhexanamide
CID 154665785
N-[(3R)-1-benzylpyrrolidin-3-yl]-4-phenylbutanamide
CID 51947538
N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 78786023
N-[(3S)-1-cyclopropyl-5-oxopyrrolidin-3-yl]-4-phenylbutanamide
CID 95985193
4-phenyl-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]butanamide
CID 90597351
N-cyclopropyl-3-[methylsulfonyl(3-phenylpropyl)amino]propanamide
CID 113140689
3-phenyl-N-piperidin-4-ylpropanamide
CID 16795625
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxy-4-methylcyclohexyl)-4-phenylbutanamide?
The IUPAC name of N-(4-hydroxy-4-methylcyclohexyl)-4-phenylbutanamide (CID 75482244) is N-(4-hydroxy-4-methylcyclohexyl)-4-phenylbutanamide.
What is the SMILES notation for N-(4-hydroxy-4-methylcyclohexyl)-4-phenylbutanamide?
The canonical SMILES for N-(4-hydroxy-4-methylcyclohexyl)-4-phenylbutanamide is CC1(O)CCC(NC(=O)CCCc2ccccc2)CC1.
What is the InChIKey of N-(4-hydroxy-4-methylcyclohexyl)-4-phenylbutanamide?
The InChIKey is XWDZFOUCZKHBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-17(20)12-10-15(11-13-17)18-16(19)9-5-8-14-6-3-2-4-7-14/h2-4,6-7,15,20H,5,8-13H2,1H3,(H,18,19).
What are the key properties of N-(4-hydroxy-4-methylcyclohexyl)-4-phenylbutanamide?
N-(4-hydroxy-4-methylcyclohexyl)-4-phenylbutanamide has a molecular weight of 275.39 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxy-4-methylcyclohexyl)-4-phenylbutanamide is sourced from PubChem (CID 75482244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).