N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide

C17H19NO3 — CID 110889479

IUPACN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
SMILESCOc1ccc(C(O)CNC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H19NO3/c1-12-3-5-14(6-4-12)17(20)18-11-16(19)13-7-9-15(21-2)10-8-13/h3-10,16,19H,11H2,1-2H3,(H,18,20)
InChIKeyAABQHWFQYCHQDM-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.47
Rot. Bonds5

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

N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide (PubChem CID 110889479) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
PubChem CID110889479
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide
SMILESCOc1ccc(C(O)CNC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H19NO3/c1-12-3-5-14(6-4-12)17(20)18-11-16(19)13-7-9-15(21-2)10-8-13/h3-10,16,19H,11H2,1-2H3,(H,18,20)
InChIKeyAABQHWFQYCHQDM-UHFFFAOYSA-N
XLogP2.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[(2R)-2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 38800266
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 47178909
N-(2-hydroxy-2-phenylethyl)-4-methylbenzamide
CID 2812769
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 111477233
4-dimethylphosphoryl-N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 138023195
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-pyrazol-1-ylbenzamide
CID 110889458
N-[2-hydroxy-2-(4-methylphenyl)ethyl]-4-(2-methylpropyl)benzamide
CID 86981673
4-bromo-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethoxybenzamide
CID 55655345
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47178927
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
[2-hydroxy-2-(4-methoxyphenyl)ethyl]urea
CID 137321016

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide (CID 110889479) is N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide is COc1ccc(C(O)CNC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide?
The InChIKey is AABQHWFQYCHQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-12-3-5-14(6-4-12)17(20)18-11-16(19)13-7-9-15(21-2)10-8-13/h3-10,16,19H,11H2,1-2H3,(H,18,20).
What are the key properties of N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide?
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide has a molecular weight of 285.34 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-4-methylbenzamide is sourced from PubChem (CID 110889479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).