3-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide

C16H17NO3 — CID 61017535

IUPAC3-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCc2ccc(O)cc2)cc1O
InChIInChI=1S/C16H17NO3/c1-11-2-5-13(10-15(11)19)16(20)17-9-8-12-3-6-14(18)7-4-12/h2-7,10,18-19H,8-9H2,1H3,(H,17,20)
InChIKeyUGEVJJPKNNDGOV-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.38
Rot. Bonds4

About 3-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide

3-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide (PubChem CID 61017535) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 3-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide
PubChem CID61017535
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name3-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NCCc2ccc(O)cc2)cc1O
InChIInChI=1S/C16H17NO3/c1-11-2-5-13(10-15(11)19)16(20)17-9-8-12-3-6-14(18)7-4-12/h2-7,10,18-19H,8-9H2,1H3,(H,17,20)
InChIKeyUGEVJJPKNNDGOV-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydrazinyl-N-[2-(4-hydroxyphenyl)ethyl]-3-methylbenzamide
CID 63211606
3-hydroxy-N-(2-hydroxyethyl)-4-methylbenzamide
CID 43416195
N-[2-(4-hydroxyphenyl)ethyl]naphthalene-2-carboxamide
CID 6624490
N-[2-(4-hydroxyphenyl)ethyl]-4-methyl-2-oxochromene-7-carboxamide
CID 155169638
2,6-dichloro-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide
CID 61237115
N-[2-(4-fluorophenyl)ethyl]-3,4-dimethylbenzamide
CID 3946122
3-chloro-N-[2-(4-hydroxyphenyl)ethyl]-4-iodobenzamide
CID 103738158
3-hydroxy-4-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62664549
3-(3-acetylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 117084824
N-[2-(4-hydroxyphenyl)ethyl]-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103998665
N-[2-(2,4-dichlorophenyl)ethyl]-3-hydroxy-4-methylbenzamide
CID 29051396
N-[2-(4-hydroxyphenyl)ethyl]-1-methylpyridin-1-ium-3-carboxamide
CID 3578527

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide?
The IUPAC name of 3-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide (CID 61017535) is 3-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide.
What is the SMILES notation for 3-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide?
The canonical SMILES for 3-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide is Cc1ccc(C(=O)NCCc2ccc(O)cc2)cc1O.
What is the InChIKey of 3-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide?
The InChIKey is UGEVJJPKNNDGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11-2-5-13(10-15(11)19)16(20)17-9-8-12-3-6-14(18)7-4-12/h2-7,10,18-19H,8-9H2,1H3,(H,17,20).
What are the key properties of 3-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide?
3-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide has a molecular weight of 271.32 g/mol, XLogP of 2.38, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 61017535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).