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

C19H22N2O4 — CID 31632489

IUPACmethyl 3-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CN(C)Cc2ccc(OC)cc2)c1
InChIInChI=1S/C19H22N2O4/c1-21(12-14-7-9-17(24-2)10-8-14)13-18(22)20-16-6-4-5-15(11-16)19(23)25-3/h4-11H,12-13H2,1-3H3,(H,20,22)
InChIKeyIISFESRIVTZZCM-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.55
Rot. Bonds7

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

methyl 3-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate (PubChem CID 31632489) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl 3-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
PubChem CID31632489
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Namemethyl 3-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)CN(C)Cc2ccc(OC)cc2)c1
InChIInChI=1S/C19H22N2O4/c1-21(12-14-7-9-17(24-2)10-8-14)13-18(22)20-16-6-4-5-15(11-16)19(23)25-3/h4-11H,12-13H2,1-3H3,(H,20,22)
InChIKeyIISFESRIVTZZCM-UHFFFAOYSA-N
XLogP2.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]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

2-[(4-methoxyphenyl)methyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 8761296
2-[(4-methoxyphenyl)methyl-methylamino]-N-(3-nitrophenyl)acetamide
CID 8761647
3-[[2-[(4-ethylphenyl)methyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 33437863
N-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl-methylamino]acetamide
CID 8555397
dimethyl 5-[[2-[methyl-[(4-methylphenyl)methyl]amino]acetyl]amino]benzene-1,3-dicarboxylate
CID 27218385
N-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl-methylamino]acetamide
CID 2656678
methyl 3-[[[2-(3,4-dichloroanilino)-2-oxoethyl]-methylamino]methyl]benzoate
CID 9198110
3-[[2-[(4-ethoxyphenyl)methyl-methylamino]acetyl]amino]-N-ethylbenzamide
CID 8695112
N-(3-fluoro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 27197824
N-(3-chloro-4-methylphenyl)-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8761370
2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2657324
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 9053961

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate (CID 31632489) is methyl 3-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate is COC(=O)c1cccc(NC(=O)CN(C)Cc2ccc(OC)cc2)c1.
What is the InChIKey of methyl 3-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate?
The InChIKey is IISFESRIVTZZCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-21(12-14-7-9-17(24-2)10-8-14)13-18(22)20-16-6-4-5-15(11-16)19(23)25-3/h4-11H,12-13H2,1-3H3,(H,20,22).
What are the key properties of methyl 3-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate?
methyl 3-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate has a molecular weight of 342.40 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]amino]benzoate is sourced from PubChem (CID 31632489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).