2-hydroxy-4-methoxy-N-(4-phenylbutan-2-yl)benzamide

C18H21NO3 — CID 2904556

IUPAC2-hydroxy-4-methoxy-N-(4-phenylbutan-2-yl)benzamide
SMILESCOc1ccc(C(=O)NC(C)CCc2ccccc2)c(O)c1
InChIInChI=1S/C18H21NO3/c1-13(8-9-14-6-4-3-5-7-14)19-18(21)16-11-10-15(22-2)12-17(16)20/h3-7,10-13,20H,8-9H2,1-2H3,(H,19,21)
InChIKeyRHEHPKQKXHMIOS-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.15
Rot. Bonds6

About 2-hydroxy-4-methoxy-N-(4-phenylbutan-2-yl)benzamide

2-hydroxy-4-methoxy-N-(4-phenylbutan-2-yl)benzamide (PubChem CID 2904556) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-hydroxy-4-methoxy-N-(4-phenylbutan-2-yl)benzamide.

Molecular Properties

Compound Name2-hydroxy-4-methoxy-N-(4-phenylbutan-2-yl)benzamide
PubChem CID2904556
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-hydroxy-4-methoxy-N-(4-phenylbutan-2-yl)benzamide
SMILESCOc1ccc(C(=O)NC(C)CCc2ccccc2)c(O)c1
InChIInChI=1S/C18H21NO3/c1-13(8-9-14-6-4-3-5-7-14)19-18(21)16-11-10-15(22-2)12-17(16)20/h3-7,10-13,20H,8-9H2,1-2H3,(H,19,21)
InChIKeyRHEHPKQKXHMIOS-UHFFFAOYSA-N
XLogP3.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(((2S)-1-Ethyl-2-pyrrolidinyl)methyl)-2-hydroxy-3-iodo-6-methoxybenzamide
CID 107995
Tembamide
CID 177583
5-adamantan-1-yl-N-(2,4-dihydroxybenzyl)-2,4-dimethoxybenzamide
CID 57328615
5-adamantan-1-yl-N-(2,4-dihydroxybenzyl)-2-hydroxy-4-methoxybenzamide
CID 57328616
2,4-Dihydroxy-N-(2-hydroxyethyl)benzamide
CID 90408
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxy-3-iodo-6-methoxybenzamide
CID 5120
4-{[(2R)-2-(2-methylphenyl)pyrrolidin-1-yl]carbonyl}benzene-1,3-diol
CID 25058141
3-adamantan-1-yl-N-(2,4-dihydroxybenzyl)-4-methoxybenzamide
CID 70685217
1,3-Dihydroisoindol-2-yl-(2-hydroxy-4-methoxy-5-propan-2-yl-phenyl)methanone
CID 11955555
N-ethyl-2,6-dihydroxy-5-[(4-methoxyphenyl)methyl]-3-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]benzamide
CID 24768285
4-butoxy-N-[2-(3-methoxyphenoxy)ethyl]benzamide
CID 2222926
3,5-dimethoxy-N-(4-phenylbutan-2-yl)benzamide
CID 2915995

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-methoxy-N-(4-phenylbutan-2-yl)benzamide?
The IUPAC name of 2-hydroxy-4-methoxy-N-(4-phenylbutan-2-yl)benzamide (CID 2904556) is 2-hydroxy-4-methoxy-N-(4-phenylbutan-2-yl)benzamide.
What is the SMILES notation for 2-hydroxy-4-methoxy-N-(4-phenylbutan-2-yl)benzamide?
The canonical SMILES for 2-hydroxy-4-methoxy-N-(4-phenylbutan-2-yl)benzamide is COc1ccc(C(=O)NC(C)CCc2ccccc2)c(O)c1.
What is the InChIKey of 2-hydroxy-4-methoxy-N-(4-phenylbutan-2-yl)benzamide?
The InChIKey is RHEHPKQKXHMIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-13(8-9-14-6-4-3-5-7-14)19-18(21)16-11-10-15(22-2)12-17(16)20/h3-7,10-13,20H,8-9H2,1-2H3,(H,19,21).
What are the key properties of 2-hydroxy-4-methoxy-N-(4-phenylbutan-2-yl)benzamide?
2-hydroxy-4-methoxy-N-(4-phenylbutan-2-yl)benzamide has a molecular weight of 299.37 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-methoxy-N-(4-phenylbutan-2-yl)benzamide is sourced from PubChem (CID 2904556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).