methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate

C18H19NO5 — CID 18106671

IUPACmethyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C18H19NO5/c1-22-15-8-14(9-16(10-15)23-2)17(20)19-11-12-4-6-13(7-5-12)18(21)24-3/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyYRJFFZTXOXFUAD-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.42
Rot. Bonds6

About methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate

methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate (PubChem CID 18106671) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate
PubChem CID18106671
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namemethyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C18H19NO5/c1-22-15-8-14(9-16(10-15)23-2)17(20)19-11-12-4-6-13(7-5-12)18(21)24-3/h4-10H,11H2,1-3H3,(H,19,20)
InChIKeyYRJFFZTXOXFUAD-UHFFFAOYSA-N
XLogP2.42
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]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

3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 835462
N-[(4-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 1335598
3,5-dimethoxy-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]benzamide
CID 47043818
3,5-dimethoxy-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1011870
methyl 4-[[(4-acetylbenzoyl)amino]methyl]benzoate
CID 163207822
methyl 4-[2-[3-[2-(3,5-dimethoxyphenyl)-2-oxoacetyl]-5-methoxyphenyl]ethyl]benzoate
CID 172869617
4-[[(3,5-dimethoxybenzoyl)carbamothioylamino]methyl]benzoic acid
CID 28688527
N-[(4-methoxyphenyl)methyl]naphthalene-2-carboxamide
CID 883831
methyl 3-[[(3,5-dimethoxybenzoyl)amino]methyl]-5-[(2-phenylacetyl)amino]benzoate
CID 42406364
1-[[4-[[(3,5-dimethoxybenzoyl)amino]carbamoyl]phenyl]methyl]-3-propan-2-ylurea
CID 9328543
4-[[(3,5-diacetyloxybenzoyl)amino]methyl]benzoic acid
CID 2976254
4-(cyanomethyl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 82178795

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate?
The IUPAC name of methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate (CID 18106671) is methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate?
The InChIKey is YRJFFZTXOXFUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-22-15-8-14(9-16(10-15)23-2)17(20)19-11-12-4-6-13(7-5-12)18(21)24-3/h4-10H,11H2,1-3H3,(H,19,20).
What are the key properties of methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate?
methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate has a molecular weight of 329.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(3,5-dimethoxybenzoyl)amino]methyl]benzoate is sourced from PubChem (CID 18106671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).