methyl 3-(aminomethyl)-5-[(3-methoxybenzoyl)amino]benzoate

C17H18N2O4 — CID 118759148

IUPACmethyl 3-(aminomethyl)-5-[(3-methoxybenzoyl)amino]benzoate
SMILESCOC(=O)c1cc(CN)cc(NC(=O)c2cccc(OC)c2)c1
InChIInChI=1S/C17H18N2O4/c1-22-15-5-3-4-12(9-15)16(20)19-14-7-11(10-18)6-13(8-14)17(21)23-2/h3-9H,10,18H2,1-2H3,(H,19,20)
InChIKeyIQARSHBSEFMFMF-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.19
Rot. Bonds5

About methyl 3-(aminomethyl)-5-[(3-methoxybenzoyl)amino]benzoate

methyl 3-(aminomethyl)-5-[(3-methoxybenzoyl)amino]benzoate (PubChem CID 118759148) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is methyl 3-(aminomethyl)-5-[(3-methoxybenzoyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-(aminomethyl)-5-[(3-methoxybenzoyl)amino]benzoate
PubChem CID118759148
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Namemethyl 3-(aminomethyl)-5-[(3-methoxybenzoyl)amino]benzoate
SMILESCOC(=O)c1cc(CN)cc(NC(=O)c2cccc(OC)c2)c1
InChIInChI=1S/C17H18N2O4/c1-22-15-5-3-4-12(9-15)16(20)19-14-7-11(10-18)6-13(8-14)17(21)23-2/h3-9H,10,18H2,1-2H3,(H,19,20)
InChIKeyIQARSHBSEFMFMF-UHFFFAOYSA-N
XLogP2.19
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-(aminomethyl)-5-[(3-methoxybenzoyl)amino]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

N-(3-ethylphenyl)-3-methoxybenzamide
CID 896052
dimethyl 5-[(3-propan-2-yloxybenzoyl)amino]benzene-1,3-dicarboxylate
CID 1339052
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
3-acetamido-5-(aminomethyl)-N-(4-methoxyphenyl)benzamide
CID 118759804
methyl 3-[[[2-(3,5-dimethyl-1,2,4-triazol-1-yl)acetyl]amino]methyl]-5-[(3-methoxybenzoyl)amino]benzoate
CID 42275276
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724
N-[5-(aminomethyl)-2-pyridinyl]-3-methoxybenzamide
CID 62350444
methyl 3-[[(4-imidazol-1-ylbenzoyl)amino]methyl]-5-[(3-methoxybenzoyl)amino]benzoate
CID 42431459
3-(carbamoylamino)-N-(3-methoxyphenyl)benzamide
CID 29199856
butyl 3-[(3-methoxybenzoyl)amino]benzoate
CID 19166278
N-(4-bromo-3,5-dimethylphenyl)-3-methoxybenzamide
CID 107574824
1-N-(3-acetylphenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057624

Frequently Asked Questions

What is the IUPAC name of methyl 3-(aminomethyl)-5-[(3-methoxybenzoyl)amino]benzoate?
The IUPAC name of methyl 3-(aminomethyl)-5-[(3-methoxybenzoyl)amino]benzoate (CID 118759148) is methyl 3-(aminomethyl)-5-[(3-methoxybenzoyl)amino]benzoate.
What is the SMILES notation for methyl 3-(aminomethyl)-5-[(3-methoxybenzoyl)amino]benzoate?
The canonical SMILES for methyl 3-(aminomethyl)-5-[(3-methoxybenzoyl)amino]benzoate is COC(=O)c1cc(CN)cc(NC(=O)c2cccc(OC)c2)c1.
What is the InChIKey of methyl 3-(aminomethyl)-5-[(3-methoxybenzoyl)amino]benzoate?
The InChIKey is IQARSHBSEFMFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-22-15-5-3-4-12(9-15)16(20)19-14-7-11(10-18)6-13(8-14)17(21)23-2/h3-9H,10,18H2,1-2H3,(H,19,20).
What are the key properties of methyl 3-(aminomethyl)-5-[(3-methoxybenzoyl)amino]benzoate?
methyl 3-(aminomethyl)-5-[(3-methoxybenzoyl)amino]benzoate has a molecular weight of 314.34 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(aminomethyl)-5-[(3-methoxybenzoyl)amino]benzoate is sourced from PubChem (CID 118759148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).