ethyl 3-phenyl-3-(1-phenylethylamino)propanoate

C19H23NO2 — CID 76738630

IUPACethyl 3-phenyl-3-(1-phenylethylamino)propanoate
SMILESCCOC(=O)CC(NC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-3-22-19(21)14-18(17-12-8-5-9-13-17)20-15(2)16-10-6-4-7-11-16/h4-13,15,18,20H,3,14H2,1-2H3
InChIKeyIIQIBYZHWBFGFA-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.03
Rot. Bonds7

About ethyl 3-phenyl-3-(1-phenylethylamino)propanoate

ethyl 3-phenyl-3-(1-phenylethylamino)propanoate (PubChem CID 76738630) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is ethyl 3-phenyl-3-(1-phenylethylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-phenyl-3-(1-phenylethylamino)propanoate
PubChem CID76738630
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Nameethyl 3-phenyl-3-(1-phenylethylamino)propanoate
SMILESCCOC(=O)CC(NC(C)c1ccccc1)c1ccccc1
InChIInChI=1S/C19H23NO2/c1-3-22-19(21)14-18(17-12-8-5-9-13-17)20-15(2)16-10-6-4-7-11-16/h4-13,15,18,20H,3,14H2,1-2H3
InChIKeyIIQIBYZHWBFGFA-UHFFFAOYSA-N
XLogP4.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R)-3-[[(1R)-2-amino-2-oxo-1-phenylethyl]amino]-3-phenylpropanoate
CID 16726269
ethyl (2R,3S)-2-deuterio-3-[[(1R)-1-phenylethyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 10873161
ethyl (3R)-3-[[(1R)-2-hydroxy-1-phenylethyl]amino]-4-methylpentanoate
CID 102303294
ethyl (2S)-2-[[(1S)-1-phenylethyl]amino]butanoate
CID 101344394
ethyl 3-hydroxy-4-(1-phenylethylamino)butanoate
CID 103230788
ethyl N-[(1S)-3-oxo-1-phenyl-3-[[(1S)-1-phenylethyl]amino]propyl]carbamate
CID 126003498
1-phenyl-N-[(1S)-1-phenylethyl]propan-1-amine
CID 78956018
ethyl 3-(benzhydrylamino)-4-methylpentanoate
CID 23067229
ethyl 3-[[(1R)-1-phenylethyl]carbamoyl]but-3-enoate
CID 102062178
ethyl (3S)-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-2-ylpropanoate
CID 101157279
ethyl 2-(1-phenylpropylamino)acetate
CID 60811471
ethyl 3-[[(1S)-1-(4-methylphenyl)ethyl]amino]butanoate
CID 81356889

Frequently Asked Questions

What is the IUPAC name of ethyl 3-phenyl-3-(1-phenylethylamino)propanoate?
The IUPAC name of ethyl 3-phenyl-3-(1-phenylethylamino)propanoate (CID 76738630) is ethyl 3-phenyl-3-(1-phenylethylamino)propanoate.
What is the SMILES notation for ethyl 3-phenyl-3-(1-phenylethylamino)propanoate?
The canonical SMILES for ethyl 3-phenyl-3-(1-phenylethylamino)propanoate is CCOC(=O)CC(NC(C)c1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 3-phenyl-3-(1-phenylethylamino)propanoate?
The InChIKey is IIQIBYZHWBFGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-22-19(21)14-18(17-12-8-5-9-13-17)20-15(2)16-10-6-4-7-11-16/h4-13,15,18,20H,3,14H2,1-2H3.
What are the key properties of ethyl 3-phenyl-3-(1-phenylethylamino)propanoate?
ethyl 3-phenyl-3-(1-phenylethylamino)propanoate has a molecular weight of 297.40 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-phenyl-3-(1-phenylethylamino)propanoate is sourced from PubChem (CID 76738630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).