3-hydroxy-2-methyl-N-(4-propan-2-ylphenyl)benzamide

C17H19NO2 — CID 82787554

IUPAC3-hydroxy-2-methyl-N-(4-propan-2-ylphenyl)benzamide
SMILESCc1c(O)cccc1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C17H19NO2/c1-11(2)13-7-9-14(10-8-13)18-17(20)15-5-4-6-16(19)12(15)3/h4-11,19H,1-3H3,(H,18,20)
InChIKeyVTGDDQAHCWCVKI-UHFFFAOYSA-N
MW269.34 g/mol
LogP4.08
Rot. Bonds3

About 3-hydroxy-2-methyl-N-(4-propan-2-ylphenyl)benzamide

3-hydroxy-2-methyl-N-(4-propan-2-ylphenyl)benzamide (PubChem CID 82787554) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-hydroxy-2-methyl-N-(4-propan-2-ylphenyl)benzamide.

Molecular Properties

Compound Name3-hydroxy-2-methyl-N-(4-propan-2-ylphenyl)benzamide
PubChem CID82787554
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name3-hydroxy-2-methyl-N-(4-propan-2-ylphenyl)benzamide
SMILESCc1c(O)cccc1C(=O)Nc1ccc(C(C)C)cc1
InChIInChI=1S/C17H19NO2/c1-11(2)13-7-9-14(10-8-13)18-17(20)15-5-4-6-16(19)12(15)3/h4-11,19H,1-3H3,(H,18,20)
InChIKeyVTGDDQAHCWCVKI-UHFFFAOYSA-N
XLogP4.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-3-hydroxy-2-methylbenzamide
CID 82781425
2,3-dimethyl-N-(4-propan-2-ylphenyl)pyridine-4-carboxamide
CID 110858169
N-(4-chloro-3-hydroxyphenyl)-3-hydroxy-2-methylbenzamide
CID 82829516
3-hydroxy-2-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909988
3-amino-2-chloro-N-(4-propan-2-ylphenyl)benzamide
CID 115930102
2-methyl-N-[4-[(4-propan-2-ylbenzoyl)amino]phenyl]benzamide
CID 17251708
2-hydrazinyl-N-(4-propan-2-ylphenyl)benzamide
CID 62235993
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
2-(ethylamino)-N-(4-propan-2-ylphenyl)benzamide
CID 62171900
1-N,3-N,5-N-tris(4-propan-2-ylphenyl)benzene-1,3,5-tricarboxamide
CID 67992142
N-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-8-carboxamide
CID 110704451
2-fluoro-4-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 107793042

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-methyl-N-(4-propan-2-ylphenyl)benzamide?
The IUPAC name of 3-hydroxy-2-methyl-N-(4-propan-2-ylphenyl)benzamide (CID 82787554) is 3-hydroxy-2-methyl-N-(4-propan-2-ylphenyl)benzamide.
What is the SMILES notation for 3-hydroxy-2-methyl-N-(4-propan-2-ylphenyl)benzamide?
The canonical SMILES for 3-hydroxy-2-methyl-N-(4-propan-2-ylphenyl)benzamide is Cc1c(O)cccc1C(=O)Nc1ccc(C(C)C)cc1.
What is the InChIKey of 3-hydroxy-2-methyl-N-(4-propan-2-ylphenyl)benzamide?
The InChIKey is VTGDDQAHCWCVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-11(2)13-7-9-14(10-8-13)18-17(20)15-5-4-6-16(19)12(15)3/h4-11,19H,1-3H3,(H,18,20).
What are the key properties of 3-hydroxy-2-methyl-N-(4-propan-2-ylphenyl)benzamide?
3-hydroxy-2-methyl-N-(4-propan-2-ylphenyl)benzamide has a molecular weight of 269.34 g/mol, XLogP of 4.08, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-methyl-N-(4-propan-2-ylphenyl)benzamide is sourced from PubChem (CID 82787554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).