propan-2-yl 4-[(3,4-dimethylbenzoyl)amino]benzoate

C19H21NO3 — CID 708962

IUPACpropan-2-yl 4-[(3,4-dimethylbenzoyl)amino]benzoate
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1C
InChIInChI=1S/C19H21NO3/c1-12(2)23-19(22)15-7-9-17(10-8-15)20-18(21)16-6-5-13(3)14(4)11-16/h5-12H,1-4H3,(H,20,21)
InChIKeyZRWCNWNGMKTPEJ-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.12
Rot. Bonds4

About propan-2-yl 4-[(3,4-dimethylbenzoyl)amino]benzoate

propan-2-yl 4-[(3,4-dimethylbenzoyl)amino]benzoate (PubChem CID 708962) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is propan-2-yl 4-[(3,4-dimethylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namepropan-2-yl 4-[(3,4-dimethylbenzoyl)amino]benzoate
PubChem CID708962
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Namepropan-2-yl 4-[(3,4-dimethylbenzoyl)amino]benzoate
SMILESCc1ccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1C
InChIInChI=1S/C19H21NO3/c1-12(2)23-19(22)15-7-9-17(10-8-15)20-18(21)16-6-5-13(3)14(4)11-16/h5-12H,1-4H3,(H,20,21)
InChIKeyZRWCNWNGMKTPEJ-UHFFFAOYSA-N
XLogP4.12
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze propan-2-yl 4-[(3,4-dimethylbenzoyl)amino]benzoate 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

propan-2-yl 4-[(4-methylbenzoyl)amino]benzoate
CID 718345
3,4-dimethyl-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 893199
3,4-dimethyl-N-[4-(2-methylpropylamino)phenyl]benzamide
CID 112980349
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
propan-2-yl 4-[[2-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7732140
[(2R)-1-(3,4-dimethylphenyl)-1-oxopropan-2-yl] 4-acetamidobenzoate
CID 957246
propan-2-yl 4-[(3-fluorobenzoyl)amino]benzoate
CID 2664505
N-[4-(butan-2-ylamino)phenyl]-3,4-dimethylbenzamide
CID 112980469
propan-2-yl 4-[(2,3-dimethyl-1H-indole-5-carbonyl)amino]benzoate
CID 18288127
propan-2-yl 4-[(4-methyl-3,5-dinitrobenzoyl)amino]benzoate
CID 19174873
1-[4-[(3,4-dimethylbenzoyl)amino]anilino]ethylidene-dimethylazanium
CID 21440580
N-[4-(hydroxymethyl)phenyl]-3,4-dimethylbenzamide
CID 64793175

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 4-[(3,4-dimethylbenzoyl)amino]benzoate?
The IUPAC name of propan-2-yl 4-[(3,4-dimethylbenzoyl)amino]benzoate (CID 708962) is propan-2-yl 4-[(3,4-dimethylbenzoyl)amino]benzoate.
What is the SMILES notation for propan-2-yl 4-[(3,4-dimethylbenzoyl)amino]benzoate?
The canonical SMILES for propan-2-yl 4-[(3,4-dimethylbenzoyl)amino]benzoate is Cc1ccc(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc1C.
What is the InChIKey of propan-2-yl 4-[(3,4-dimethylbenzoyl)amino]benzoate?
The InChIKey is ZRWCNWNGMKTPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-12(2)23-19(22)15-7-9-17(10-8-15)20-18(21)16-6-5-13(3)14(4)11-16/h5-12H,1-4H3,(H,20,21).
What are the key properties of propan-2-yl 4-[(3,4-dimethylbenzoyl)amino]benzoate?
propan-2-yl 4-[(3,4-dimethylbenzoyl)amino]benzoate has a molecular weight of 311.38 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 4-[(3,4-dimethylbenzoyl)amino]benzoate is sourced from PubChem (CID 708962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).