ethyl 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoate

C18H21NO5 — CID 3541433

IUPACethyl 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoate
SMILESCCOC(=O)CC(NC(=O)c1ccco1)c1ccc(OCC)cc1
InChIInChI=1S/C18H21NO5/c1-3-22-14-9-7-13(8-10-14)15(12-17(20)23-4-2)19-18(21)16-6-5-11-24-16/h5-11,15H,3-4,12H2,1-2H3,(H,19,21)
InChIKeyXMNBRFXBYKTITN-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.10
Rot. Bonds8

About ethyl 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoate

ethyl 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoate (PubChem CID 3541433) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is ethyl 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoate
PubChem CID3541433
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Nameethyl 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoate
SMILESCCOC(=O)CC(NC(=O)c1ccco1)c1ccc(OCC)cc1
InChIInChI=1S/C18H21NO5/c1-3-22-14-9-7-13(8-10-14)15(12-17(20)23-4-2)19-18(21)16-6-5-11-24-16/h5-11,15H,3-4,12H2,1-2H3,(H,19,21)
InChIKeyXMNBRFXBYKTITN-UHFFFAOYSA-N
XLogP3.10
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoic acid
CID 738792
ethyl (3S)-3-benzamido-3-(4-ethoxyphenyl)propanoate
CID 7310443
ethyl (3S)-3-[(4-ethoxybenzoyl)amino]-3-(4-methylphenyl)propanoate
CID 7045180
ethyl (3R)-3-(4-ethoxyphenyl)-3-[(3-methylbenzoyl)amino]propanoate
CID 7310480
N-[(4-ethoxyphenyl)-naphthalen-1-ylmethyl]furan-2-carboxamide
CID 22300394
N-[(R)-(3,4-dimethoxyphenyl)-(4-ethoxyphenyl)methyl]furan-2-carboxamide
CID 1128199
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
ethyl 4-(furan-2-yl)-3-(4-methoxyphenyl)-4-oxobutanoate
CID 165348272
ethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55880256
(3S)-3-(4-fluorophenyl)-3-(furan-2-carbonylamino)propanoic acid
CID 783067
N-[1-(4-propan-2-ylphenoxy)propan-2-yl]furan-2-carboxamide
CID 2918144
N-[(2S)-1-[(4-ethoxyphenyl)methyl-methylamino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 7831628

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoate?
The IUPAC name of ethyl 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoate (CID 3541433) is ethyl 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoate.
What is the SMILES notation for ethyl 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoate?
The canonical SMILES for ethyl 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoate is CCOC(=O)CC(NC(=O)c1ccco1)c1ccc(OCC)cc1.
What is the InChIKey of ethyl 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoate?
The InChIKey is XMNBRFXBYKTITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-3-22-14-9-7-13(8-10-14)15(12-17(20)23-4-2)19-18(21)16-6-5-11-24-16/h5-11,15H,3-4,12H2,1-2H3,(H,19,21).
What are the key properties of ethyl 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoate?
ethyl 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoate has a molecular weight of 331.37 g/mol, XLogP of 3.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-ethoxyphenyl)-3-(furan-2-carbonylamino)propanoate is sourced from PubChem (CID 3541433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).