ethyl 2-[benzyl(methyl)amino]-3-phenylpropanoate

C19H23NO2 — CID 134842909

IUPACethyl 2-[benzyl(methyl)amino]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)N(C)Cc1ccccc1
InChIInChI=1S/C19H23NO2/c1-3-22-19(21)18(14-16-10-6-4-7-11-16)20(2)15-17-12-8-5-9-13-17/h4-13,18H,3,14-15H2,1-2H3
InChIKeyQCAZBTQNUJMUNE-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.29
Rot. Bonds7

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

ethyl 2-[benzyl(methyl)amino]-3-phenylpropanoate (PubChem CID 134842909) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is ethyl 2-[benzyl(methyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-[benzyl(methyl)amino]-3-phenylpropanoate
PubChem CID134842909
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Nameethyl 2-[benzyl(methyl)amino]-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)N(C)Cc1ccccc1
InChIInChI=1S/C19H23NO2/c1-3-22-19(21)18(14-16-10-6-4-7-11-16)20(2)15-17-12-8-5-9-13-17/h4-13,18H,3,14-15H2,1-2H3
InChIKeyQCAZBTQNUJMUNE-UHFFFAOYSA-N
XLogP3.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Camylofin
CID 5902
2-(Diethylamino)ethyl alpha-phenyl-1-piperidineacetate
CID 72064
N-(1-Ethoxy-1-oxo-3-phenylpropan-2-yl)benzenecarboximidic acid
CID 209394
Camylofin hydrochloride
CID 23724817
(S)-2-(3-Benzyl-ureido)-3-phenyl-propionic acid methyl ester
CID 1996476
N-benzoyl-phenylalanine methyl ester
CID 569674
(R)-2-(3-Benzyl-3-methyl-ureido)-3-phenyl-propionic acid methyl ester
CID 2026523
[2-[Benzyl(tert-butyl)amino]-2-oxoethyl] cyclohexanecarboxylate
CID 4333683
[2-Oxo-2-(1-phenylethylamino)ethyl] cyclohexanecarboxylate
CID 4395063
Methyl N,N-dibenzyl-L-phenylalaninate
CID 15297227
(1,1-Dimethylpiperidin-1-ium-4-yl) 2-phenyl-2-pyrrolidin-1-ylpropanoate
CID 24988273
(1-Methylpiperidin-4-yl) 2-phenyl-2-pyrrolidin-1-ylpropanoate
CID 57400423

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[benzyl(methyl)amino]-3-phenylpropanoate?
The IUPAC name of ethyl 2-[benzyl(methyl)amino]-3-phenylpropanoate (CID 134842909) is ethyl 2-[benzyl(methyl)amino]-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-[benzyl(methyl)amino]-3-phenylpropanoate?
The canonical SMILES for ethyl 2-[benzyl(methyl)amino]-3-phenylpropanoate is CCOC(=O)C(Cc1ccccc1)N(C)Cc1ccccc1.
What is the InChIKey of ethyl 2-[benzyl(methyl)amino]-3-phenylpropanoate?
The InChIKey is QCAZBTQNUJMUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-22-19(21)18(14-16-10-6-4-7-11-16)20(2)15-17-12-8-5-9-13-17/h4-13,18H,3,14-15H2,1-2H3.
What are the key properties of ethyl 2-[benzyl(methyl)amino]-3-phenylpropanoate?
ethyl 2-[benzyl(methyl)amino]-3-phenylpropanoate has a molecular weight of 297.40 g/mol, XLogP of 3.29, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[benzyl(methyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 134842909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).