3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide

C18H20N2O3 — CID 789614

IUPAC3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc(O)cc2)c1
InChIInChI=1S/C18H20N2O3/c1-18(2,3)17(23)20-14-6-4-5-12(11-14)16(22)19-13-7-9-15(21)10-8-13/h4-11,21H,1-3H3,(H,19,22)(H,20,23)
InChIKeyBNTPHVOJKUVMRU-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.63
Rot. Bonds3

About 3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide

3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide (PubChem CID 789614) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide
PubChem CID789614
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc(O)cc2)c1
InChIInChI=1S/C18H20N2O3/c1-18(2,3)17(23)20-14-6-4-5-12(11-14)16(22)19-13-7-9-15(21)10-8-13/h4-11,21H,1-3H3,(H,19,22)(H,20,23)
InChIKeyBNTPHVOJKUVMRU-UHFFFAOYSA-N
XLogP3.63
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide 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

N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 29404148
N-(4-bromophenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 1368374
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
3-(2,2-dimethylpropanoylamino)-N-(4-ethylsulfonylphenyl)benzamide
CID 35781376
3-(2,2-dimethylpropanoylamino)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037592
3-(2,2-dimethylpropanoylamino)-N-[6-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-9H-fluoren-3-yl]benzamide
CID 2849840
N-(3-acetylphenyl)-3,5-bis(2,2-dimethylpropanoylamino)benzamide
CID 17171661
3-chloro-N-[3-(2,2-dimethylpropanoylamino)phenyl]benzamide
CID 17102477
3-(2,2-dimethylpropanoylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)benzamide
CID 134057140
3-(2,2-dimethylpropanoylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 35371656
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide (CID 789614) is 3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide is CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2ccc(O)cc2)c1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide?
The InChIKey is BNTPHVOJKUVMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-18(2,3)17(23)20-14-6-4-5-12(11-14)16(22)19-13-7-9-15(21)10-8-13/h4-11,21H,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide?
3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide has a molecular weight of 312.37 g/mol, XLogP of 3.63, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-(4-hydroxyphenyl)benzamide is sourced from PubChem (CID 789614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).