N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide

C17H25NO2 — CID 65119076

IUPACN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide
SMILESCC1(C)CCC(O)(CNC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C17H25NO2/c1-16(2)8-10-17(20,11-9-16)13-18-15(19)12-14-6-4-3-5-7-14/h3-7,20H,8-13H2,1-2H3,(H,18,19)
InChIKeyRYIVUGBQYJOKEM-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.68
Rot. Bonds4

About N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide (PubChem CID 65119076) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide
PubChem CID65119076
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC NameN-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide
SMILESCC1(C)CCC(O)(CNC(=O)Cc2ccccc2)CC1
InChIInChI=1S/C17H25NO2/c1-16(2)8-10-17(20,11-9-16)13-18-15(19)12-14-6-4-3-5-7-14/h3-7,20H,8-13H2,1-2H3,(H,18,19)
InChIKeyRYIVUGBQYJOKEM-UHFFFAOYSA-N
XLogP2.68
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide
CID 65119553
N-[(4-hydroxyoxan-4-yl)methyl]-2-phenylacetamide
CID 79038917
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-thiophen-3-ylacetamide
CID 65119506
2-hydroxy-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65119121
3-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]-3-oxopropanoic acid
CID 65123311
(2R)-2-amino-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide
CID 65120039
1-[[(2-phenylacetyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449471
4,4-dimethyl-1-[(2-phenylethylamino)methyl]cyclohexan-1-ol
CID 65117177
2-(5-amino-2-pyridinyl)-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]acetamide
CID 107339008
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-phenylacetamide
CID 110416748
N-[(1-hydroxycyclobutyl)methyl]-3-phenylpropanamide
CID 111445427
N-[[(4R)-4-hydroxy-1-(3-methylbut-2-enyl)azepan-4-yl]methyl]-2-phenylacetamide
CID 95717583

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide?
The IUPAC name of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide (CID 65119076) is N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide.
What is the SMILES notation for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide?
The canonical SMILES for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide is CC1(C)CCC(O)(CNC(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide?
The InChIKey is RYIVUGBQYJOKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-16(2)8-10-17(20,11-9-16)13-18-15(19)12-14-6-4-3-5-7-14/h3-7,20H,8-13H2,1-2H3,(H,18,19).
What are the key properties of N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide?
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide has a molecular weight of 275.39 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-phenylacetamide is sourced from PubChem (CID 65119076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).