N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide

C17H19NO2 — CID 110663962

IUPACN-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(C)(O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-13-8-10-14(11-9-13)16(19)18-12-17(2,20)15-6-4-3-5-7-15/h3-11,20H,12H2,1-2H3,(H,18,19)
InChIKeyANCLHLXQYXBIDR-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.63
Rot. Bonds4

About N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide

N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide (PubChem CID 110663962) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
PubChem CID110663962
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(C)(O)c2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-13-8-10-14(11-9-13)16(19)18-12-17(2,20)15-6-4-3-5-7-15/h3-11,20H,12H2,1-2H3,(H,18,19)
InChIKeyANCLHLXQYXBIDR-UHFFFAOYSA-N
XLogP2.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxy-2-phenylpropyl)-3,5-dimethylbenzamide
CID 111334967
N-[(2R)-2-hydroxy-2-phenylpropyl]-4-propan-2-yloxybenzamide
CID 95367999
N-[(2S)-2-hydroxy-2-(4-phenylphenyl)propyl]-4-methoxybenzamide
CID 95982815
3,4-dichloro-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111944
3,4-difluoro-N-[(2S)-2-hydroxy-2-phenylpropyl]benzamide
CID 95367981
N-(2-hydroxy-2-phenylpropyl)-3-methyl-4-nitrobenzamide
CID 111334968
N-(2-hydroxy-2-phenylpropyl)-2-methylbenzamide
CID 110663960
N-(2-hydroxy-2-methylbutyl)-4-methylbenzamide
CID 65109665
N-(2-hydroxy-2-phenylpropyl)-1-methylpyrazole-4-carboxamide
CID 111335084
4-(diethylsulfamoyl)-N-(2-hydroxy-2-phenylpropyl)benzamide
CID 121111975
N-[(2R)-2-hydroxy-2-phenylpropyl]-3-(trifluoromethyl)benzamide
CID 95368012
N-[2-hydroxy-2-(4-phenylphenyl)propyl]-2-methylbenzamide
CID 121085663

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide?
The IUPAC name of N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide (CID 110663962) is N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide?
The canonical SMILES for N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide is Cc1ccc(C(=O)NCC(C)(O)c2ccccc2)cc1.
What is the InChIKey of N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide?
The InChIKey is ANCLHLXQYXBIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-13-8-10-14(11-9-13)16(19)18-12-17(2,20)15-6-4-3-5-7-15/h3-11,20H,12H2,1-2H3,(H,18,19).
What are the key properties of N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide?
N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide has a molecular weight of 269.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylpropyl)-4-methylbenzamide is sourced from PubChem (CID 110663962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).