N-[4-(2-cyanopropan-2-yl)phenyl]-3-hydroxy-4-methylbenzamide

C18H18N2O2 — CID 122136192

IUPACN-[4-(2-cyanopropan-2-yl)phenyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1O
InChIInChI=1S/C18H18N2O2/c1-12-4-5-13(10-16(12)21)17(22)20-15-8-6-14(7-9-15)18(2,3)11-19/h4-10,21H,1-3H3,(H,20,22)
InChIKeyCLBBYRADWBOHHC-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.75
Rot. Bonds3

About N-[4-(2-cyanopropan-2-yl)phenyl]-3-hydroxy-4-methylbenzamide

N-[4-(2-cyanopropan-2-yl)phenyl]-3-hydroxy-4-methylbenzamide (PubChem CID 122136192) has the molecular formula C18H18N2O2 and a molecular weight of 294.35 g/mol. Its IUPAC name is N-[4-(2-cyanopropan-2-yl)phenyl]-3-hydroxy-4-methylbenzamide.

Molecular Properties

Compound NameN-[4-(2-cyanopropan-2-yl)phenyl]-3-hydroxy-4-methylbenzamide
PubChem CID122136192
Molecular FormulaC18H18N2O2
Molecular Weight294.35 g/mol
Exact Mass294.14
IUPAC NameN-[4-(2-cyanopropan-2-yl)phenyl]-3-hydroxy-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1O
InChIInChI=1S/C18H18N2O2/c1-12-4-5-13(10-16(12)21)17(22)20-15-8-6-14(7-9-15)18(2,3)11-19/h4-10,21H,1-3H3,(H,20,22)
InChIKeyCLBBYRADWBOHHC-UHFFFAOYSA-N
XLogP3.75
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[4-(2-cyanopropan-2-yl)phenyl]-3-hydroxy-4-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-cyano-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64792528
N-[4-(cyanomethoxy)phenyl]-3-hydroxy-4-methylbenzamide
CID 43369113
3-hydroxy-N-[4-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 64792997
N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 837218
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-3-hydroxy-4-methylbenzamide
CID 21352752
N-(3-hydroxy-4-methylphenyl)-4-iodobenzamide
CID 64792908
3-(2-cyanopropan-2-yl)-5-hydroxy-N-(4-methyl-3-nitrophenyl)benzamide
CID 68955030
N-(3-hydroxy-4-methylphenyl)-4-methoxybenzamide
CID 1228319
5-N-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]-3-N-methylpyridine-3,5-dicarboxamide
CID 69443345
2-fluoro-5-[(3-hydroxy-4-methylbenzoyl)amino]benzoic acid
CID 60825323
4-[[4-[2-(4-hydroxy-3-methylphenyl)propan-2-yl]benzoyl]amino]benzoyl chloride
CID 88731277
N-[3-(4-aminophenoxy)-4-methylphenyl]-3-(2-cyanopropan-2-yl)benzamide
CID 67313669

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-cyanopropan-2-yl)phenyl]-3-hydroxy-4-methylbenzamide?
The IUPAC name of N-[4-(2-cyanopropan-2-yl)phenyl]-3-hydroxy-4-methylbenzamide (CID 122136192) is N-[4-(2-cyanopropan-2-yl)phenyl]-3-hydroxy-4-methylbenzamide.
What is the SMILES notation for N-[4-(2-cyanopropan-2-yl)phenyl]-3-hydroxy-4-methylbenzamide?
The canonical SMILES for N-[4-(2-cyanopropan-2-yl)phenyl]-3-hydroxy-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(C(C)(C)C#N)cc2)cc1O.
What is the InChIKey of N-[4-(2-cyanopropan-2-yl)phenyl]-3-hydroxy-4-methylbenzamide?
The InChIKey is CLBBYRADWBOHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2/c1-12-4-5-13(10-16(12)21)17(22)20-15-8-6-14(7-9-15)18(2,3)11-19/h4-10,21H,1-3H3,(H,20,22).
What are the key properties of N-[4-(2-cyanopropan-2-yl)phenyl]-3-hydroxy-4-methylbenzamide?
N-[4-(2-cyanopropan-2-yl)phenyl]-3-hydroxy-4-methylbenzamide has a molecular weight of 294.35 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-cyanopropan-2-yl)phenyl]-3-hydroxy-4-methylbenzamide is sourced from PubChem (CID 122136192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).