methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate

C18H19NO3 — CID 9368938

IUPACmethyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N(C)Cc2ccccc2C)cc1
InChIInChI=1S/C18H19NO3/c1-13-6-4-5-7-16(13)12-19(2)17(20)14-8-10-15(11-9-14)18(21)22-3/h4-11H,12H2,1-3H3
InChIKeyAWOFTIDSZKTMAY-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.05
Rot. Bonds4

About methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate

methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate (PubChem CID 9368938) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate
PubChem CID9368938
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namemethyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate
SMILESCOC(=O)c1ccc(C(=O)N(C)Cc2ccccc2C)cc1
InChIInChI=1S/C18H19NO3/c1-13-6-4-5-7-16(13)12-19(2)17(20)14-8-10-15(11-9-14)18(21)22-3/h4-11H,12H2,1-3H3
InChIKeyAWOFTIDSZKTMAY-UHFFFAOYSA-N
XLogP3.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 4-[methyl-[(2-methylphenyl)methyl]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

4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028521
4-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 60631099
4-(ethylamino)-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 62175917
methyl 4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]benzoate
CID 60646503
N-methyl-N-[(2-methylphenyl)methyl]-4-nitrobenzamide
CID 27827757
4-ethylsulfonyl-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 51098556
4-amino-3-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 104782446
3-amino-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 43574048
4-fluoro-N,3-dimethyl-N-[(2-methylphenyl)methyl]benzamide
CID 63213046
N-methyl-N-[(2-methylphenyl)methyl]-4-(phenylsulfamoyl)benzamide
CID 9368880
N-methyl-N-[(2-methylphenyl)methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 26558348
3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028026

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate?
The IUPAC name of methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate (CID 9368938) is methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate.
What is the SMILES notation for methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate?
The canonical SMILES for methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate is COC(=O)c1ccc(C(=O)N(C)Cc2ccccc2C)cc1.
What is the InChIKey of methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate?
The InChIKey is AWOFTIDSZKTMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-13-6-4-5-7-16(13)12-19(2)17(20)14-8-10-15(11-9-14)18(21)22-3/h4-11H,12H2,1-3H3.
What are the key properties of methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate?
methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate has a molecular weight of 297.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl-[(2-methylphenyl)methyl]carbamoyl]benzoate is sourced from PubChem (CID 9368938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).