ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate

C16H17NO4 — CID 43877560

IUPACethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C16H17NO4/c1-2-20-16(19)13(11-12-7-4-3-5-8-12)17-15(18)14-9-6-10-21-14/h3-10,13H,2,11H2,1H3,(H,17,18)
InChIKeyMMGAZCRHAQDTMM-UHFFFAOYSA-N
MW287.31 g/mol
LogP2.18
Rot. Bonds6

About ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate

ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate (PubChem CID 43877560) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
PubChem CID43877560
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Nameethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
SMILESCCOC(=O)C(Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C16H17NO4/c1-2-20-16(19)13(11-12-7-4-3-5-8-12)17-15(18)14-9-6-10-21-14/h3-10,13H,2,11H2,1H3,(H,17,18)
InChIKeyMMGAZCRHAQDTMM-UHFFFAOYSA-N
XLogP2.18
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (2R)-3-(4-fluorophenyl)-2-(furan-2-carbonylamino)propanoate
CID 66813442
[2-oxo-2-(propylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567045
[(E)-but-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55936409
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567017
[2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7030612
2-(4-methylphenoxy)ethyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578888
(4-chlorophenyl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578858
(2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 78761330
[(2S)-2-benzamido-3-phenylpropyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 127025927
2-(3-ethylphenoxy)ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55316536
[2-(1,2-diphenylethylamino)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55929358
methyl 3-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]oxymethyl]furan-2-carboxylate
CID 55935790

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate?
The IUPAC name of ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate (CID 43877560) is ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate.
What is the SMILES notation for ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate?
The canonical SMILES for ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate is CCOC(=O)C(Cc1ccccc1)NC(=O)c1ccco1.
What is the InChIKey of ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate?
The InChIKey is MMGAZCRHAQDTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-2-20-16(19)13(11-12-7-4-3-5-8-12)17-15(18)14-9-6-10-21-14/h3-10,13H,2,11H2,1H3,(H,17,18).
What are the key properties of ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate?
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate has a molecular weight of 287.31 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate is sourced from PubChem (CID 43877560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).