N-[(3-hydroxyphenyl)methyl]-4-propan-2-ylbenzamide

C17H19NO2 — CID 47292127

IUPACN-[(3-hydroxyphenyl)methyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NCc2cccc(O)c2)cc1
InChIInChI=1S/C17H19NO2/c1-12(2)14-6-8-15(9-7-14)17(20)18-11-13-4-3-5-16(19)10-13/h3-10,12,19H,11H2,1-2H3,(H,18,20)
InChIKeyIKUYBJHTYKRHFG-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.45
Rot. Bonds4

About N-[(3-hydroxyphenyl)methyl]-4-propan-2-ylbenzamide

N-[(3-hydroxyphenyl)methyl]-4-propan-2-ylbenzamide (PubChem CID 47292127) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-[(3-hydroxyphenyl)methyl]-4-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[(3-hydroxyphenyl)methyl]-4-propan-2-ylbenzamide
PubChem CID47292127
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-[(3-hydroxyphenyl)methyl]-4-propan-2-ylbenzamide
SMILESCC(C)c1ccc(C(=O)NCc2cccc(O)c2)cc1
InChIInChI=1S/C17H19NO2/c1-12(2)14-6-8-15(9-7-14)17(20)18-11-13-4-3-5-16(19)10-13/h3-10,12,19H,11H2,1-2H3,(H,18,20)
InChIKeyIKUYBJHTYKRHFG-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-4-propan-2-ylbenzamide
CID 60739701
3,4-dichloro-N-[(3-hydroxyphenyl)methyl]benzamide
CID 47292199
N-[(3-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 47292120
3-[[1-(4-propan-2-ylphenyl)ethylamino]methyl]phenol
CID 43221156
N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711
1-[[4-(1-hydroxyethyl)phenyl]methyl]-3-[(3-hydroxyphenyl)methyl]urea
CID 146084416
N-[(3-hydroxyphenyl)methyl]-3-methoxybenzamide
CID 47292174
4-chloro-N-[(3-hydroxyphenyl)methyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 61017424
N-[(3-hydroxyphenyl)methyl]-2,6-dimethylbenzamide
CID 103769243
4-hydroxy-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 63311474
N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide
CID 71822293
2-fluoro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoic acid
CID 20714672

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxyphenyl)methyl]-4-propan-2-ylbenzamide?
The IUPAC name of N-[(3-hydroxyphenyl)methyl]-4-propan-2-ylbenzamide (CID 47292127) is N-[(3-hydroxyphenyl)methyl]-4-propan-2-ylbenzamide.
What is the SMILES notation for N-[(3-hydroxyphenyl)methyl]-4-propan-2-ylbenzamide?
The canonical SMILES for N-[(3-hydroxyphenyl)methyl]-4-propan-2-ylbenzamide is CC(C)c1ccc(C(=O)NCc2cccc(O)c2)cc1.
What is the InChIKey of N-[(3-hydroxyphenyl)methyl]-4-propan-2-ylbenzamide?
The InChIKey is IKUYBJHTYKRHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-12(2)14-6-8-15(9-7-14)17(20)18-11-13-4-3-5-16(19)10-13/h3-10,12,19H,11H2,1-2H3,(H,18,20).
What are the key properties of N-[(3-hydroxyphenyl)methyl]-4-propan-2-ylbenzamide?
N-[(3-hydroxyphenyl)methyl]-4-propan-2-ylbenzamide has a molecular weight of 269.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxyphenyl)methyl]-4-propan-2-ylbenzamide is sourced from PubChem (CID 47292127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).