methyl 4-[(4-methylbenzoyl)carbamoyl]benzoate

C17H15NO4 — CID 175211628

IUPACmethyl 4-[(4-methylbenzoyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H15NO4/c1-11-3-5-12(6-4-11)15(19)18-16(20)13-7-9-14(10-8-13)17(21)22-2/h3-10H,1-2H3,(H,18,19,20)
InChIKeyMGPWLXIJLNFNRC-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.35
Rot. Bonds3

About methyl 4-[(4-methylbenzoyl)carbamoyl]benzoate

methyl 4-[(4-methylbenzoyl)carbamoyl]benzoate (PubChem CID 175211628) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is methyl 4-[(4-methylbenzoyl)carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-methylbenzoyl)carbamoyl]benzoate
PubChem CID175211628
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Namemethyl 4-[(4-methylbenzoyl)carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)NC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C17H15NO4/c1-11-3-5-12(6-4-11)15(19)18-16(20)13-7-9-14(10-8-13)17(21)22-2/h3-10H,1-2H3,(H,18,19,20)
InChIKeyMGPWLXIJLNFNRC-UHFFFAOYSA-N
XLogP2.35
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 4-[(4-methylbenzoyl)carbamoyl]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-methylbenzoate
CID 91113291
methyl 4-methylbenzoate
CID 7455
N,4-dimethylbenzamide;ethane;methyl 4-methylbenzoate
CID 143418770
methyl 4-methylbenzoate tritetrafluoroborate
CID 175179502
1-N,4-N-dimethylbenzene-1,4-dicarboxamide;dimethyl benzene-1,4-dicarboxylate
CID 158994697
methanol;methyl 4-methylbenzoate;toluene
CID 142226695
methyl 4-[4-[bis[4-(4-methoxycarbonylphenyl)phenyl]-[4-(4-methylphenyl)phenyl]methyl]phenyl]benzoate
CID 118119644
methyl 4-(chlorocarbamoyl)benzoate
CID 87175338
(4-methylbenzoyl)carbamic acid
CID 89120559
N-ethylethanamine;methyl 4-methylbenzoate
CID 18508179
hexane;methyl 4-methylbenzoate
CID 143689226
methyl 4-(N-(4-methoxycarbonylphenyl)-4-methylanilino)benzoate
CID 102198007

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-methylbenzoyl)carbamoyl]benzoate?
The IUPAC name of methyl 4-[(4-methylbenzoyl)carbamoyl]benzoate (CID 175211628) is methyl 4-[(4-methylbenzoyl)carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[(4-methylbenzoyl)carbamoyl]benzoate?
The canonical SMILES for methyl 4-[(4-methylbenzoyl)carbamoyl]benzoate is COC(=O)c1ccc(C(=O)NC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of methyl 4-[(4-methylbenzoyl)carbamoyl]benzoate?
The InChIKey is MGPWLXIJLNFNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO4/c1-11-3-5-12(6-4-11)15(19)18-16(20)13-7-9-14(10-8-13)17(21)22-2/h3-10H,1-2H3,(H,18,19,20).
What are the key properties of methyl 4-[(4-methylbenzoyl)carbamoyl]benzoate?
methyl 4-[(4-methylbenzoyl)carbamoyl]benzoate has a molecular weight of 297.31 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-methylbenzoyl)carbamoyl]benzoate is sourced from PubChem (CID 175211628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).