methyl 2-[3-[benzyl(ethyl)amino]propanoylamino]benzoate

C20H24N2O3 — CID 109023113

IUPACmethyl 2-[3-[benzyl(ethyl)amino]propanoylamino]benzoate
SMILESCCN(CCC(=O)Nc1ccccc1C(=O)OC)Cc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-3-22(15-16-9-5-4-6-10-16)14-13-19(23)21-18-12-8-7-11-17(18)20(24)25-2/h4-12H,3,13-15H2,1-2H3,(H,21,23)
InChIKeyKKBVHOKYYVGDTJ-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.32
Rot. Bonds8

About methyl 2-[3-[benzyl(ethyl)amino]propanoylamino]benzoate

methyl 2-[3-[benzyl(ethyl)amino]propanoylamino]benzoate (PubChem CID 109023113) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl 2-[3-[benzyl(ethyl)amino]propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 2-[3-[benzyl(ethyl)amino]propanoylamino]benzoate
PubChem CID109023113
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namemethyl 2-[3-[benzyl(ethyl)amino]propanoylamino]benzoate
SMILESCCN(CCC(=O)Nc1ccccc1C(=O)OC)Cc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-3-22(15-16-9-5-4-6-10-16)14-13-19(23)21-18-12-8-7-11-17(18)20(24)25-2/h4-12H,3,13-15H2,1-2H3,(H,21,23)
InChIKeyKKBVHOKYYVGDTJ-UHFFFAOYSA-N
XLogP3.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[benzyl(ethyl)amino]-N-(2-phenoxyphenyl)propanamide
CID 109023136
2-[3-(diethylamino)propanoylamino]benzoic acid
CID 559444
methyl 3-[3-[benzyl(ethyl)amino]propanoylamino]benzoate
CID 109023114
3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide
CID 4284031
3-[benzyl(ethyl)amino]-N-(3,5-dimethoxyphenyl)propanamide
CID 1340180
ethyl 2-[3-[acetyl(benzyl)amino]propanoylamino]benzoate
CID 113118359
3-[benzyl(ethyl)amino]-N-(2,4-dimethoxyphenyl)propanamide;oxalic acid
CID 171154507
3-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 109023106
3-[benzyl(ethyl)amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 109023093
methyl 2-[[3-[benzyl(propan-2-yl)amino]-3-oxopropanoyl]amino]benzoate
CID 108951728
methyl 2-[[3-[benzyl(ethyl)amino]-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108963306
methyl 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoate
CID 23734523

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[benzyl(ethyl)amino]propanoylamino]benzoate?
The IUPAC name of methyl 2-[3-[benzyl(ethyl)amino]propanoylamino]benzoate (CID 109023113) is methyl 2-[3-[benzyl(ethyl)amino]propanoylamino]benzoate.
What is the SMILES notation for methyl 2-[3-[benzyl(ethyl)amino]propanoylamino]benzoate?
The canonical SMILES for methyl 2-[3-[benzyl(ethyl)amino]propanoylamino]benzoate is CCN(CCC(=O)Nc1ccccc1C(=O)OC)Cc1ccccc1.
What is the InChIKey of methyl 2-[3-[benzyl(ethyl)amino]propanoylamino]benzoate?
The InChIKey is KKBVHOKYYVGDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-22(15-16-9-5-4-6-10-16)14-13-19(23)21-18-12-8-7-11-17(18)20(24)25-2/h4-12H,3,13-15H2,1-2H3,(H,21,23).
What are the key properties of methyl 2-[3-[benzyl(ethyl)amino]propanoylamino]benzoate?
methyl 2-[3-[benzyl(ethyl)amino]propanoylamino]benzoate has a molecular weight of 340.42 g/mol, XLogP of 3.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[benzyl(ethyl)amino]propanoylamino]benzoate is sourced from PubChem (CID 109023113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).