methyl 4-[(4-carbamoylbenzoyl)amino]benzoate

C16H14N2O4 — CID 30845691

IUPACmethyl 4-[(4-carbamoylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C16H14N2O4/c1-22-16(21)12-6-8-13(9-7-12)18-15(20)11-4-2-10(3-5-11)14(17)19/h2-9H,1H3,(H2,17,19)(H,18,20)
InChIKeyVUBHIIORKNJFFS-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.82
Rot. Bonds4

About methyl 4-[(4-carbamoylbenzoyl)amino]benzoate

methyl 4-[(4-carbamoylbenzoyl)amino]benzoate (PubChem CID 30845691) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is methyl 4-[(4-carbamoylbenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-carbamoylbenzoyl)amino]benzoate
PubChem CID30845691
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Namemethyl 4-[(4-carbamoylbenzoyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2ccc(C(N)=O)cc2)cc1
InChIInChI=1S/C16H14N2O4/c1-22-16(21)12-6-8-13(9-7-12)18-15(20)11-4-2-10(3-5-11)14(17)19/h2-9H,1H3,(H2,17,19)(H,18,20)
InChIKeyVUBHIIORKNJFFS-UHFFFAOYSA-N
XLogP1.82
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-[(4-carbamoylbenzoyl)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

methyl 4-[(4-carbamoylphenyl)carbamoyl]benzoate
CID 5085217
1-N,4-N-bis(4-carbamoylphenyl)benzene-1,4-dicarboxamide
CID 1272826
methyl 3-[(4-carbamoylphenyl)carbamoyl]benzoate
CID 17175176
methyl 4-[[4-[(4-hydroxyphenyl)carbamoyl]phenyl]carbamoyl]benzoate
CID 3353390
4-N-(4-acetamidophenyl)benzene-1,4-dicarboxamide
CID 27648779
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
methyl 4-(pyridine-4-carbonylamino)benzoate;hydrochloride
CID 110756565
methyl 4-[[4-(methanesulfonamido)benzoyl]amino]benzoate
CID 967516
(4-benzamidophenyl) 4-carbamoylbenzoate
CID 35623223
methyl 4-[[4-(2-methoxyethoxy)phenyl]carbamoyl]benzoate
CID 17178280
4-[[4-[(2-methylpropan-2-yl)oxy]benzoyl]amino]benzamide
CID 110761803

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-carbamoylbenzoyl)amino]benzoate?
The IUPAC name of methyl 4-[(4-carbamoylbenzoyl)amino]benzoate (CID 30845691) is methyl 4-[(4-carbamoylbenzoyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(4-carbamoylbenzoyl)amino]benzoate?
The canonical SMILES for methyl 4-[(4-carbamoylbenzoyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2ccc(C(N)=O)cc2)cc1.
What is the InChIKey of methyl 4-[(4-carbamoylbenzoyl)amino]benzoate?
The InChIKey is VUBHIIORKNJFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-22-16(21)12-6-8-13(9-7-12)18-15(20)11-4-2-10(3-5-11)14(17)19/h2-9H,1H3,(H2,17,19)(H,18,20).
What are the key properties of methyl 4-[(4-carbamoylbenzoyl)amino]benzoate?
methyl 4-[(4-carbamoylbenzoyl)amino]benzoate has a molecular weight of 298.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-carbamoylbenzoyl)amino]benzoate is sourced from PubChem (CID 30845691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).