ethyl 3-[2-phenylethyl(propanoyl)amino]propanoate

C16H23NO3 — CID 20621418

IUPACethyl 3-[2-phenylethyl(propanoyl)amino]propanoate
SMILESCCOC(=O)CCN(CCc1ccccc1)C(=O)CC
InChIInChI=1S/C16H23NO3/c1-3-15(18)17(13-11-16(19)20-4-2)12-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
InChIKeyUVZWTFYFACMXHR-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.42
Rot. Bonds8

About ethyl 3-[2-phenylethyl(propanoyl)amino]propanoate

ethyl 3-[2-phenylethyl(propanoyl)amino]propanoate (PubChem CID 20621418) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is ethyl 3-[2-phenylethyl(propanoyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[2-phenylethyl(propanoyl)amino]propanoate
PubChem CID20621418
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Nameethyl 3-[2-phenylethyl(propanoyl)amino]propanoate
SMILESCCOC(=O)CCN(CCc1ccccc1)C(=O)CC
InChIInChI=1S/C16H23NO3/c1-3-15(18)17(13-11-16(19)20-4-2)12-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3
InChIKeyUVZWTFYFACMXHR-UHFFFAOYSA-N
XLogP2.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
ethyl 4-[benzyl(2-phenylethyl)amino]-4-oxobutanoate
CID 91713662
ethyl 3-[acetyl(benzyl)amino]propanoate
CID 14922098
ethyl 3-[2-phenylethyl-[[2-(trifluoromethyl)phenyl]carbamoyl]amino]propanoate
CID 42697979
ethyl 3-[4-[methyl(2-phenylethyl)amino]phenyl]propanoate
CID 59859894
methyl 3-[dodecanoyl(2-phenylethyl)amino]propanoate
CID 42702284
benzyl 3-[2-methoxyethyl-[2-[2-methoxyethyl-[2-[2-methoxyethyl(propanoyl)amino]acetyl]amino]acetyl]amino]propanoate
CID 118137228
ethyl N-(2-phenylethyl)-N-propanoylcarbamate
CID 71095623
3-[butanoyl(2-phenylethyl)amino]propanoic acid
CID 82323377
N-(2-aminoethyl)-2-ethoxy-N-(2-phenylethyl)acetamide;hydrochloride
CID 120886517
ethyl 3-[benzyl-[2-(2-methylphenyl)acetyl]amino]propanoate
CID 43910778
ethyl 3-[benzyl-[2-(4-methylphenoxy)acetyl]amino]propanoate
CID 43910600

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-phenylethyl(propanoyl)amino]propanoate?
The IUPAC name of ethyl 3-[2-phenylethyl(propanoyl)amino]propanoate (CID 20621418) is ethyl 3-[2-phenylethyl(propanoyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[2-phenylethyl(propanoyl)amino]propanoate?
The canonical SMILES for ethyl 3-[2-phenylethyl(propanoyl)amino]propanoate is CCOC(=O)CCN(CCc1ccccc1)C(=O)CC.
What is the InChIKey of ethyl 3-[2-phenylethyl(propanoyl)amino]propanoate?
The InChIKey is UVZWTFYFACMXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-3-15(18)17(13-11-16(19)20-4-2)12-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3.
What are the key properties of ethyl 3-[2-phenylethyl(propanoyl)amino]propanoate?
ethyl 3-[2-phenylethyl(propanoyl)amino]propanoate has a molecular weight of 277.36 g/mol, XLogP of 2.42, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-phenylethyl(propanoyl)amino]propanoate is sourced from PubChem (CID 20621418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).