methyl-[3-[(4-methylbenzoyl)amino]benzoyl]carbamic acid

C17H16N2O4 — CID 173192241

IUPACmethyl-[3-[(4-methylbenzoyl)amino]benzoyl]carbamic acid
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)N(C)C(=O)O)c2)cc1
InChIInChI=1S/C17H16N2O4/c1-11-6-8-12(9-7-11)15(20)18-14-5-3-4-13(10-14)16(21)19(2)17(22)23/h3-10H,1-2H3,(H,18,20)(H,22,23)
InChIKeyMFOMBPYKKSAVEL-UHFFFAOYSA-N
MW312.33 g/mol
LogP3.00
Rot. Bonds3

About methyl-[3-[(4-methylbenzoyl)amino]benzoyl]carbamic acid

methyl-[3-[(4-methylbenzoyl)amino]benzoyl]carbamic acid (PubChem CID 173192241) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is methyl-[3-[(4-methylbenzoyl)amino]benzoyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[3-[(4-methylbenzoyl)amino]benzoyl]carbamic acid
PubChem CID173192241
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Namemethyl-[3-[(4-methylbenzoyl)amino]benzoyl]carbamic acid
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)N(C)C(=O)O)c2)cc1
InChIInChI=1S/C17H16N2O4/c1-11-6-8-12(9-7-11)15(20)18-14-5-3-4-13(10-14)16(21)19(2)17(22)23/h3-10H,1-2H3,(H,18,20)(H,22,23)
InChIKeyMFOMBPYKKSAVEL-UHFFFAOYSA-N
XLogP3.00
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl-[3-[(4-methylbenzoyl)amino]benzoyl]carbamic acid 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-[1-(dimethylamino)-2-oxoethyl]-N-methyl-3-[(4-methylbenzoyl)amino]benzamide
CID 173192249
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
2-[[3-[(4-methylbenzoyl)amino]benzoyl]amino]acetic acid
CID 90870302
3-benzamido-N-benzyl-N-methylbenzamide
CID 3936845
3-[(4-acetamidobenzoyl)amino]-N,N-dimethylbenzamide
CID 134037398
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876
N-[(2S)-butan-2-yl]-3-[(4-methylbenzoyl)amino]benzamide
CID 42427411
N-[3-(diethylcarbamoyl)phenyl]-3-methylbenzamide
CID 17194507
N-[3-(diethylcarbamoyl)phenyl]-3,5-dimethylbenzamide
CID 26712665
4-methyl-N-(3-phenoxyphenyl)benzamide
CID 59304535
3-benzamido-N,N-dibutylbenzamide
CID 4270775
3-benzamido-N-ethyl-N-(2-methylphenyl)benzamide
CID 5158190

Frequently Asked Questions

What is the IUPAC name of methyl-[3-[(4-methylbenzoyl)amino]benzoyl]carbamic acid?
The IUPAC name of methyl-[3-[(4-methylbenzoyl)amino]benzoyl]carbamic acid (CID 173192241) is methyl-[3-[(4-methylbenzoyl)amino]benzoyl]carbamic acid.
What is the SMILES notation for methyl-[3-[(4-methylbenzoyl)amino]benzoyl]carbamic acid?
The canonical SMILES for methyl-[3-[(4-methylbenzoyl)amino]benzoyl]carbamic acid is Cc1ccc(C(=O)Nc2cccc(C(=O)N(C)C(=O)O)c2)cc1.
What is the InChIKey of methyl-[3-[(4-methylbenzoyl)amino]benzoyl]carbamic acid?
The InChIKey is MFOMBPYKKSAVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-11-6-8-12(9-7-11)15(20)18-14-5-3-4-13(10-14)16(21)19(2)17(22)23/h3-10H,1-2H3,(H,18,20)(H,22,23).
What are the key properties of methyl-[3-[(4-methylbenzoyl)amino]benzoyl]carbamic acid?
methyl-[3-[(4-methylbenzoyl)amino]benzoyl]carbamic acid has a molecular weight of 312.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[3-[(4-methylbenzoyl)amino]benzoyl]carbamic acid is sourced from PubChem (CID 173192241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).