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

C16H17NO2 — CID 2812769

IUPACN-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-12-7-9-14(10-8-12)16(19)17-11-15(18)13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3,(H,17,19)
InChIKeyRORRQSSUXOCVAX-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.46
Rot. Bonds4

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

N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide (PubChem CID 2812769) has the molecular formula C16H17NO2 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
PubChem CID2812769
Molecular FormulaC16H17NO2
Molecular Weight255.32 g/mol
Exact Mass255.13
IUPAC NameN-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)NCC(O)c2ccccc2)cc1
InChIInChI=1S/C16H17NO2/c1-12-7-9-14(10-8-12)16(19)17-11-15(18)13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3,(H,17,19)
InChIKeyRORRQSSUXOCVAX-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
4-bromo-N-[(2R)-2-hydroxy-2-phenylethyl]benzamide
CID 6936176
4-methyl-N-[(2R)-2-phenylpropyl]benzamide
CID 9302175
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
CID 110889479
4-dimethylphosphoryl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 138023195
4-methyl-N-(2-phenylbutyl)benzamide
CID 52988708
N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-(2-methylpropyl)benzamide
CID 86981673
N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide
CID 43391272
N-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide
CID 43416361
N-[(2S)-2-(benzenesulfonyl)-2-phenylethyl]-4-methylbenzamide
CID 9184686
N-[(2R)-2-hydroxy-2-phenylethyl]-3-methoxy-4-methylbenzamide
CID 93033692
N-(3,3-diphenylpropyl)-4-methylbenzamide
CID 1312769

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide (CID 2812769) is N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide is Cc1ccc(C(=O)NCC(O)c2ccccc2)cc1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide?
The InChIKey is RORRQSSUXOCVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2/c1-12-7-9-14(10-8-12)16(19)17-11-15(18)13-5-3-2-4-6-13/h2-10,15,18H,11H2,1H3,(H,17,19).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide?
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide has a molecular weight of 255.32 g/mol, XLogP of 2.46, 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-phenylethyl)-4-methylbenzamide is sourced from PubChem (CID 2812769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).