methyl 3-[2-(2-phenylethylcarbamoyl)phenyl]propanoate

C19H21NO3 — CID 19838192

IUPACmethyl 3-[2-(2-phenylethylcarbamoyl)phenyl]propanoate
SMILESCOC(=O)CCc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C19H21NO3/c1-23-18(21)12-11-16-9-5-6-10-17(16)19(22)20-14-13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,22)
InChIKeyRYBNTOFOHITPHF-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.76
Rot. Bonds7

About methyl 3-[2-(2-phenylethylcarbamoyl)phenyl]propanoate

methyl 3-[2-(2-phenylethylcarbamoyl)phenyl]propanoate (PubChem CID 19838192) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is methyl 3-[2-(2-phenylethylcarbamoyl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-phenylethylcarbamoyl)phenyl]propanoate
PubChem CID19838192
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Namemethyl 3-[2-(2-phenylethylcarbamoyl)phenyl]propanoate
SMILESCOC(=O)CCc1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C19H21NO3/c1-23-18(21)12-11-16-9-5-6-10-17(16)19(22)20-14-13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,22)
InChIKeyRYBNTOFOHITPHF-UHFFFAOYSA-N
XLogP2.76
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 4-[[2-(aminomethyl)benzoyl]amino]butanoate
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N-[2-(dimethylamino)ethyl]-2-(2-phenylethyl)benzamide
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2-benzyl-N-[2-(2-methoxyphenyl)ethyl]benzamide
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methyl 8-oxo-8-(2-phenylethylamino)octanoate
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methyl 3-oxo-3-(2-phenylethylamino)propanoate
CID 15006667
N-[2-(ethylamino)ethyl]-2-(2-phenylethyl)benzamide;hydrochloride
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acetylene;methoxymethane;methyl 3-phenylpropanoate
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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-phenylethylcarbamoyl)phenyl]propanoate?
The IUPAC name of methyl 3-[2-(2-phenylethylcarbamoyl)phenyl]propanoate (CID 19838192) is methyl 3-[2-(2-phenylethylcarbamoyl)phenyl]propanoate.
What is the SMILES notation for methyl 3-[2-(2-phenylethylcarbamoyl)phenyl]propanoate?
The canonical SMILES for methyl 3-[2-(2-phenylethylcarbamoyl)phenyl]propanoate is COC(=O)CCc1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of methyl 3-[2-(2-phenylethylcarbamoyl)phenyl]propanoate?
The InChIKey is RYBNTOFOHITPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-23-18(21)12-11-16-9-5-6-10-17(16)19(22)20-14-13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3,(H,20,22).
What are the key properties of methyl 3-[2-(2-phenylethylcarbamoyl)phenyl]propanoate?
methyl 3-[2-(2-phenylethylcarbamoyl)phenyl]propanoate has a molecular weight of 311.38 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-phenylethylcarbamoyl)phenyl]propanoate is sourced from PubChem (CID 19838192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).