methyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate

C18H18N2O4 — CID 26583179

IUPACmethyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CNC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C18H18N2O4/c1-12-4-3-5-14(10-12)17(22)19-11-16(21)20-15-8-6-13(7-9-15)18(23)24-2/h3-10H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYODYVQSGBAWQCM-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.15
Rot. Bonds5

About methyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate

methyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate (PubChem CID 26583179) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is methyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate
PubChem CID26583179
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Namemethyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CNC(=O)c2cccc(C)c2)cc1
InChIInChI=1S/C18H18N2O4/c1-12-4-3-5-14(10-12)17(22)19-11-16(21)20-15-8-6-13(7-9-15)18(23)24-2/h3-10H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyYODYVQSGBAWQCM-UHFFFAOYSA-N
XLogP2.15
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]benzoate
CID 9364094
methyl 4-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]benzoate
CID 26583191
methyl 4-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamoyl]benzoate
CID 17178369
3-methyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide
CID 112999065
N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 4679398
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide
CID 26584037
methyl 4-[[2-(3-methylphenyl)acetyl]amino]benzoate
CID 6466904
methyl 4-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 112999938
3-methyl-N-[2-oxo-2-(4-pentylanilino)ethyl]benzamide
CID 26776933
[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl] 2-[(3-methylbenzoyl)amino]acetate
CID 40676131
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
3,5-dimethyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 26537864

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate (CID 26583179) is methyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)CNC(=O)c2cccc(C)c2)cc1.
What is the InChIKey of methyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate?
The InChIKey is YODYVQSGBAWQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12-4-3-5-14(10-12)17(22)19-11-16(21)20-15-8-6-13(7-9-15)18(23)24-2/h3-10H,11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of methyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate?
methyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate has a molecular weight of 326.35 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate is sourced from PubChem (CID 26583179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).