methyl 3-[benzhydryl(ethylcarbamoyl)amino]propanoate

C20H24N2O3 — CID 42697150

IUPACmethyl 3-[benzhydryl(ethylcarbamoyl)amino]propanoate
SMILESCCNC(=O)N(CCC(=O)OC)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-3-21-20(24)22(15-14-18(23)25-2)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,19H,3,14-15H2,1-2H3,(H,21,24)
InChIKeyRGOIEZONHFNLNI-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.37
Rot. Bonds7

About methyl 3-[benzhydryl(ethylcarbamoyl)amino]propanoate

methyl 3-[benzhydryl(ethylcarbamoyl)amino]propanoate (PubChem CID 42697150) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl 3-[benzhydryl(ethylcarbamoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[benzhydryl(ethylcarbamoyl)amino]propanoate
PubChem CID42697150
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namemethyl 3-[benzhydryl(ethylcarbamoyl)amino]propanoate
SMILESCCNC(=O)N(CCC(=O)OC)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O3/c1-3-21-20(24)22(15-14-18(23)25-2)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,19H,3,14-15H2,1-2H3,(H,21,24)
InChIKeyRGOIEZONHFNLNI-UHFFFAOYSA-N
XLogP3.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[methyl(2-phenylbutanoyl)amino]propanoate
CID 54980359
methyl 3-[benzoyl(2-methylpropyl)amino]propanoate
CID 60860018
3-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-phenylpropanoic acid
CID 175494223
methyl 5,5-diphenylpentanoate
CID 10923549
methyl 3-[3,3-diphenylpropanoyl(2-methylpropyl)amino]propanoate
CID 52663836
methyl (5S)-5-hydroxy-5-phenylpentanoate
CID 25209922
methyl 3-[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]propanoate
CID 78959230
methyl 3-[(3-amino-2-phenyl-3-sulfanylidenepropanoyl)-methylamino]propanoate
CID 62878442
3-[benzoyl(1-phenylethyl)amino]propanoic acid
CID 82324526
methyl (3R)-3-[(3-methoxy-3-oxopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-phenylbutanoate
CID 15433160
methyl 3-[(2-chloro-2-phenylacetyl)-(2-methoxyethyl)amino]propanoate
CID 115534215
methyl 3-[ethyl(4-phenylbutyl)amino]propanoate
CID 114334479

Frequently Asked Questions

What is the IUPAC name of methyl 3-[benzhydryl(ethylcarbamoyl)amino]propanoate?
The IUPAC name of methyl 3-[benzhydryl(ethylcarbamoyl)amino]propanoate (CID 42697150) is methyl 3-[benzhydryl(ethylcarbamoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[benzhydryl(ethylcarbamoyl)amino]propanoate?
The canonical SMILES for methyl 3-[benzhydryl(ethylcarbamoyl)amino]propanoate is CCNC(=O)N(CCC(=O)OC)C(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl 3-[benzhydryl(ethylcarbamoyl)amino]propanoate?
The InChIKey is RGOIEZONHFNLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-21-20(24)22(15-14-18(23)25-2)19(16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,19H,3,14-15H2,1-2H3,(H,21,24).
What are the key properties of methyl 3-[benzhydryl(ethylcarbamoyl)amino]propanoate?
methyl 3-[benzhydryl(ethylcarbamoyl)amino]propanoate has a molecular weight of 340.42 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[benzhydryl(ethylcarbamoyl)amino]propanoate is sourced from PubChem (CID 42697150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).