4-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-2-methylbenzamide

C16H17NO3 — CID 103865733

IUPAC4-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C16H17NO3/c1-11-10-14(19)6-7-15(11)16(20)17-13-4-2-12(3-5-13)8-9-18/h2-7,10,18-19H,8-9H2,1H3,(H,17,20)
InChIKeyCPXQSYOWHBUQMJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.49
Rot. Bonds4

About 4-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-2-methylbenzamide

4-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-2-methylbenzamide (PubChem CID 103865733) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-2-methylbenzamide
PubChem CID103865733
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name4-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-2-methylbenzamide
SMILESCc1cc(O)ccc1C(=O)Nc1ccc(CCO)cc1
InChIInChI=1S/C16H17NO3/c1-11-10-14(19)6-7-15(11)16(20)17-13-4-2-12(3-5-13)8-9-18/h2-7,10,18-19H,8-9H2,1H3,(H,17,20)
InChIKeyCPXQSYOWHBUQMJ-UHFFFAOYSA-N
XLogP2.49
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-3-methylbenzamide
CID 61223601
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-4-methoxybenzamide
CID 61221954
4-hydroxy-N-(4-hydroxy-3-methylphenyl)-2-methylbenzamide
CID 103867304
2,4-dimethyl-N-(4-propylphenyl)benzamide
CID 42237293
N-[4-(2-hydroxyethyl)phenyl]-2,3-dimethylbenzamide
CID 61222500
N-[4-(2-aminoethyl)phenyl]-2,4-dimethylbenzamide
CID 62302184
2-hydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 61221414
4-hydroxy-2-methyl-N-(4-methylsulfonylphenyl)benzamide
CID 107671551
N-(4-carbamothioylphenyl)-4-hydroxy-2-methylbenzamide
CID 107671447
4-hydroxy-N-[4-[(Z)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-2-methylbenzamide
CID 107671539
3,4-dihydroxy-N-[4-(2-hydroxyethyl)phenyl]benzamide
CID 103956147
4-hydroxy-2-methyl-N-[4-[1-(methylamino)ethyl]phenyl]benzamide
CID 107671338

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-2-methylbenzamide?
The IUPAC name of 4-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-2-methylbenzamide (CID 103865733) is 4-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for 4-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-2-methylbenzamide?
The canonical SMILES for 4-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-2-methylbenzamide is Cc1cc(O)ccc1C(=O)Nc1ccc(CCO)cc1.
What is the InChIKey of 4-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-2-methylbenzamide?
The InChIKey is CPXQSYOWHBUQMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-10-14(19)6-7-15(11)16(20)17-13-4-2-12(3-5-13)8-9-18/h2-7,10,18-19H,8-9H2,1H3,(H,17,20).
What are the key properties of 4-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-2-methylbenzamide?
4-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-2-methylbenzamide has a molecular weight of 271.32 g/mol, XLogP of 2.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[4-(2-hydroxyethyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 103865733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).