N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide

C17H19NO2 — CID 43391272

IUPACN-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCC(O)c2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-12-8-9-13(2)15(10-12)17(20)18-11-16(19)14-6-4-3-5-7-14/h3-10,16,19H,11H2,1-2H3,(H,18,20)
InChIKeyHDFYIULCASEIRX-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.77
Rot. Bonds4

About N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide

N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide (PubChem CID 43391272) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide
PubChem CID43391272
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide
SMILESCc1ccc(C)c(C(=O)NCC(O)c2ccccc2)c1
InChIInChI=1S/C17H19NO2/c1-12-8-9-13(2)15(10-12)17(20)18-11-16(19)14-6-4-3-5-7-14/h3-10,16,19H,11H2,1-2H3,(H,18,20)
InChIKeyHDFYIULCASEIRX-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-2,5-dimethylbenzamide
CID 97416787
N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-2,5-dimethylbenzamide
CID 95982457
N-(2-hydroxy-2-phenylethyl)-2,4,6-trimethylbenzamide
CID 43416361
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-2,5-dimethylbenzamide
CID 72717717
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
5-[(2,5-dimethylbenzoyl)amino]-4-methylpentanoic acid
CID 82009424
2,5-dimethyl-N-(3-phenylpropyl)benzamide
CID 2202785
2-(2,5-dimethylbenzoyl)-N-(2-hydroxypropyl)benzamide
CID 110886651
2,4-dimethyl-N-[(2S)-2-phenylpropyl]benzamide
CID 26778990
2,5-dimethyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 100743905
N-(2-bromo-2-phenylethyl)-2,4-dimethylbenzamide
CID 114308285
3-chloro-N-(2-hydroxy-2-phenylethyl)-2-methylbenzamide
CID 107097712

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide (CID 43391272) is N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide is Cc1ccc(C)c(C(=O)NCC(O)c2ccccc2)c1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide?
The InChIKey is HDFYIULCASEIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12-8-9-13(2)15(10-12)17(20)18-11-16(19)14-6-4-3-5-7-14/h3-10,16,19H,11H2,1-2H3,(H,18,20).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide?
N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide has a molecular weight of 269.34 g/mol, XLogP of 2.77, 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)-2,5-dimethylbenzamide is sourced from PubChem (CID 43391272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).