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

C20H24N2O3 — CID 109023114

IUPACmethyl 3-[3-[benzyl(ethyl)amino]propanoylamino]benzoate
SMILESCCN(CCC(=O)Nc1cccc(C(=O)OC)c1)Cc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-3-22(15-16-8-5-4-6-9-16)13-12-19(23)21-18-11-7-10-17(14-18)20(24)25-2/h4-11,14H,3,12-13,15H2,1-2H3,(H,21,23)
InChIKeyFQFHZKCLBQTBCC-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.32
Rot. Bonds8

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

methyl 3-[3-[benzyl(ethyl)amino]propanoylamino]benzoate (PubChem CID 109023114) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl 3-[3-[benzyl(ethyl)amino]propanoylamino]benzoate.

Molecular Properties

Compound Namemethyl 3-[3-[benzyl(ethyl)amino]propanoylamino]benzoate
PubChem CID109023114
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namemethyl 3-[3-[benzyl(ethyl)amino]propanoylamino]benzoate
SMILESCCN(CCC(=O)Nc1cccc(C(=O)OC)c1)Cc1ccccc1
InChIInChI=1S/C20H24N2O3/c1-3-22(15-16-8-5-4-6-9-16)13-12-19(23)21-18-11-7-10-17(14-18)20(24)25-2/h4-11,14H,3,12-13,15H2,1-2H3,(H,21,23)
InChIKeyFQFHZKCLBQTBCC-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

methyl 3-[[3-[benzyl(ethyl)amino]-3-oxopropanoyl]amino]benzoate
CID 108947389
3-[benzyl(ethyl)amino]-N-(3,4-dimethoxyphenyl)propanamide
CID 109023106
3-[benzyl(ethyl)amino]-N-(3,5-dimethoxyphenyl)propanamide
CID 1340180
methyl 2-[3-[benzyl(ethyl)amino]propanoylamino]benzoate
CID 109023113
methyl 3-[(3-anilino-3-oxopropanoyl)amino]benzoate
CID 108952857
methyl 3-[[2-[benzyl(propan-2-yl)amino]acetyl]amino]benzoate
CID 33097599
3-[(3-anilino-3-oxopropyl)-ethylamino]-N-phenylpropanamide
CID 171553811
3-[benzyl(ethyl)amino]-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 112807048
3-[ethyl-[(4-methoxycarbonylphenyl)methyl]amino]propanoic acid
CID 65062900
methyl 3-[[3-(benzylamino)-3-oxopropanoyl]amino]benzoate
CID 108945310
methyl 3-(decanoylamino)benzoate
CID 142485980
methyl 3-[[2-[acetyl(2-phenylethyl)amino]acetyl]amino]benzoate
CID 113164089

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-[benzyl(ethyl)amino]propanoylamino]benzoate?
The IUPAC name of methyl 3-[3-[benzyl(ethyl)amino]propanoylamino]benzoate (CID 109023114) is methyl 3-[3-[benzyl(ethyl)amino]propanoylamino]benzoate.
What is the SMILES notation for methyl 3-[3-[benzyl(ethyl)amino]propanoylamino]benzoate?
The canonical SMILES for methyl 3-[3-[benzyl(ethyl)amino]propanoylamino]benzoate is CCN(CCC(=O)Nc1cccc(C(=O)OC)c1)Cc1ccccc1.
What is the InChIKey of methyl 3-[3-[benzyl(ethyl)amino]propanoylamino]benzoate?
The InChIKey is FQFHZKCLBQTBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-22(15-16-8-5-4-6-9-16)13-12-19(23)21-18-11-7-10-17(14-18)20(24)25-2/h4-11,14H,3,12-13,15H2,1-2H3,(H,21,23).
What are the key properties of methyl 3-[3-[benzyl(ethyl)amino]propanoylamino]benzoate?
methyl 3-[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 3-[3-[benzyl(ethyl)amino]propanoylamino]benzoate is sourced from PubChem (CID 109023114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).