ethyl 3-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-ylamino)propanoate

C15H18ClNO3 — CID 163987932

IUPACethyl 3-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-ylamino)propanoate
SMILESCCOC(=O)C(Cc1ccc(Cl)cc1)NC1=CCOC1
InChIInChI=1S/C15H18ClNO3/c1-2-20-15(18)14(17-13-7-8-19-10-13)9-11-3-5-12(16)6-4-11/h3-7,14,17H,2,8-10H2,1H3
InChIKeyTXZAGQYANJHGDB-UHFFFAOYSA-N
MW295.77 g/mol
LogP2.32
Rot. Bonds6

About ethyl 3-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-ylamino)propanoate

ethyl 3-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-ylamino)propanoate (PubChem CID 163987932) has the molecular formula C15H18ClNO3 and a molecular weight of 295.77 g/mol. Its IUPAC name is ethyl 3-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-ylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-ylamino)propanoate
PubChem CID163987932
Molecular FormulaC15H18ClNO3
Molecular Weight295.77 g/mol
Exact Mass295.10
IUPAC Nameethyl 3-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-ylamino)propanoate
SMILESCCOC(=O)C(Cc1ccc(Cl)cc1)NC1=CCOC1
InChIInChI=1S/C15H18ClNO3/c1-2-20-15(18)14(17-13-7-8-19-10-13)9-11-3-5-12(16)6-4-11/h3-7,14,17H,2,8-10H2,1H3
InChIKeyTXZAGQYANJHGDB-UHFFFAOYSA-N
XLogP2.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-ylamino)propanoate?
The IUPAC name of ethyl 3-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-ylamino)propanoate (CID 163987932) is ethyl 3-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-ylamino)propanoate.
What is the SMILES notation for ethyl 3-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-ylamino)propanoate?
The canonical SMILES for ethyl 3-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-ylamino)propanoate is CCOC(=O)C(Cc1ccc(Cl)cc1)NC1=CCOC1.
What is the InChIKey of ethyl 3-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-ylamino)propanoate?
The InChIKey is TXZAGQYANJHGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO3/c1-2-20-15(18)14(17-13-7-8-19-10-13)9-11-3-5-12(16)6-4-11/h3-7,14,17H,2,8-10H2,1H3.
What are the key properties of ethyl 3-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-ylamino)propanoate?
ethyl 3-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-ylamino)propanoate has a molecular weight of 295.77 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-chlorophenyl)-2-(2,5-dihydrofuran-3-ylamino)propanoate is sourced from PubChem (CID 163987932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).