1-phenylethyl 3-anilinopropanoate

C17H19NO2 — CID 61277472

IUPAC1-phenylethyl 3-anilinopropanoate
SMILESCC(OC(=O)CCNc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-14(15-8-4-2-5-9-15)20-17(19)12-13-18-16-10-6-3-7-11-16/h2-11,14,18H,12-13H2,1H3
InChIKeyINKMACDOWCLKCK-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.79
Rot. Bonds6

About 1-phenylethyl 3-anilinopropanoate

1-phenylethyl 3-anilinopropanoate (PubChem CID 61277472) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-phenylethyl 3-anilinopropanoate.

Molecular Properties

Compound Name1-phenylethyl 3-anilinopropanoate
PubChem CID61277472
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC Name1-phenylethyl 3-anilinopropanoate
SMILESCC(OC(=O)CCNc1ccccc1)c1ccccc1
InChIInChI=1S/C17H19NO2/c1-14(15-8-4-2-5-9-15)20-17(19)12-13-18-16-10-6-3-7-11-16/h2-11,14,18H,12-13H2,1H3
InChIKeyINKMACDOWCLKCK-UHFFFAOYSA-N
XLogP3.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenylethyl 4-(propan-2-ylamino)butanoate
CID 61278056
1-phenylethyl 4-(tert-butylamino)butanoate
CID 160511213
methane;1-phenylethyl butanoate
CID 175131064
[(1R)-1-phenylethyl] 2-chloroacetate
CID 14113253
[(1S)-1-phenylethyl] 3-phenylpropanoate
CID 102211488
1-phenylethyl 6-amino-4,4-dimethylhexanoate
CID 65285278
1-phenylethyl butanoate;1-phenylethyl propanoate
CID 174922545
ethyl 3-anilinopropanoate
CID 10910393
[(1S)-1-phenylethyl] 2-aminoacetate
CID 92978574
ethanol;1-phenylethyl propanoate
CID 175279617
[(1S)-1-phenylethyl] 2-phenylacetate
CID 70824875
1-phenylethyl 3-(2-aminophenyl)propanoate
CID 107273888

Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl 3-anilinopropanoate?
The IUPAC name of 1-phenylethyl 3-anilinopropanoate (CID 61277472) is 1-phenylethyl 3-anilinopropanoate.
What is the SMILES notation for 1-phenylethyl 3-anilinopropanoate?
The canonical SMILES for 1-phenylethyl 3-anilinopropanoate is CC(OC(=O)CCNc1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenylethyl 3-anilinopropanoate?
The InChIKey is INKMACDOWCLKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-14(15-8-4-2-5-9-15)20-17(19)12-13-18-16-10-6-3-7-11-16/h2-11,14,18H,12-13H2,1H3.
What are the key properties of 1-phenylethyl 3-anilinopropanoate?
1-phenylethyl 3-anilinopropanoate has a molecular weight of 269.34 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl 3-anilinopropanoate is sourced from PubChem (CID 61277472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).