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

C18H18N2O5 — CID 26583191

IUPACmethyl 4-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CNC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C18H18N2O5/c1-24-15-5-3-4-13(10-15)17(22)19-11-16(21)20-14-8-6-12(7-9-14)18(23)25-2/h3-10H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyGVTOQMHWYNBEHB-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.85
Rot. Bonds6

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

methyl 4-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]benzoate (PubChem CID 26583191) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is methyl 4-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]benzoate
PubChem CID26583191
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Namemethyl 4-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)CNC(=O)c2cccc(OC)c2)cc1
InChIInChI=1S/C18H18N2O5/c1-24-15-5-3-4-13(10-15)17(22)19-11-16(21)20-14-8-6-12(7-9-14)18(23)25-2/h3-10H,11H2,1-2H3,(H,19,22)(H,20,21)
InChIKeyGVTOQMHWYNBEHB-UHFFFAOYSA-N
XLogP1.85
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-[(3-methylbenzoyl)amino]acetyl]amino]benzoate
CID 26583179
3-methoxy-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]benzamide
CID 112999073
N-[2-(3,5-dichloroanilino)-2-oxoethyl]-3-methoxybenzamide
CID 46745605
methyl 4-[[4-(3-methoxyphenyl)-4-oxobutanoyl]amino]benzoate
CID 110424348
N-[2-(3-methoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 4679398
N-[2-(3-methoxyanilino)-2-oxoethyl]-3,4-dimethylbenzamide
CID 27167538
methyl 4-[[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]amino]benzoate
CID 9364094
N-[2-(3-methoxyanilino)-2-oxoethyl]-4-phenylbenzamide
CID 36915136
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 7882526
methyl 4-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 112999938
N-[2-(2-tert-butylanilino)-2-oxoethyl]-3-methoxybenzamide
CID 112997486
N-[3-(4-fluoroanilino)-3-oxopropyl]-3-methoxybenzamide
CID 17226080

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]benzoate?
The IUPAC name of methyl 4-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]benzoate (CID 26583191) is methyl 4-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]benzoate?
The canonical SMILES for methyl 4-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]benzoate is COC(=O)c1ccc(NC(=O)CNC(=O)c2cccc(OC)c2)cc1.
What is the InChIKey of methyl 4-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]benzoate?
The InChIKey is GVTOQMHWYNBEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-24-15-5-3-4-13(10-15)17(22)19-11-16(21)20-14-8-6-12(7-9-14)18(23)25-2/h3-10H,11H2,1-2H3,(H,19,22)(H,20,21).
What are the key properties of methyl 4-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]benzoate?
methyl 4-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]benzoate has a molecular weight of 342.35 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-[(3-methoxybenzoyl)amino]acetyl]amino]benzoate is sourced from PubChem (CID 26583191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).