(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide

C19H25ClN2O4 — CID 30878612

IUPAC(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
SMILESCCOc1cc(/C=C/C(=O)NCCCN2CCCC2=O)cc(Cl)c1OC
InChIInChI=1S/C19H25ClN2O4/c1-3-26-16-13-14(12-15(20)19(16)25-2)7-8-17(23)21-9-5-11-22-10-4-6-18(22)24/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,21,23)/b8-7+
InChIKeyZZXPIUACUNOIMR-BQYQJAHWSA-N
MW380.87 g/mol
LogP2.89
Rot. Bonds9

About (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide

(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide (PubChem CID 30878612) has the molecular formula C19H25ClN2O4 and a molecular weight of 380.87 g/mol. Its IUPAC name is (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
PubChem CID30878612
Molecular FormulaC19H25ClN2O4
Molecular Weight380.87 g/mol
Exact Mass380.15
IUPAC Name(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide
SMILESCCOc1cc(/C=C/C(=O)NCCCN2CCCC2=O)cc(Cl)c1OC
InChIInChI=1S/C19H25ClN2O4/c1-3-26-16-13-14(12-15(20)19(16)25-2)7-8-17(23)21-9-5-11-22-10-4-6-18(22)24/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,21,23)/b8-7+
InChIKeyZZXPIUACUNOIMR-BQYQJAHWSA-N
XLogP2.89
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.87
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-ethylprop-2-enamide
CID 75266195
3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)prop-2-enamide
CID 78780979
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-cyclopentylprop-2-enamide
CID 9213962
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[2-(ethylamino)-2-oxoethyl]prop-2-enamide
CID 9224667
N-[2-[3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoylamino]ethyl]-4-methoxybenzamide
CID 55878943
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]prop-2-enamide
CID 9391700
(E)-3-[3,4-dimethoxy-5-[3-(2-oxopyrrolidin-1-yl)propylsulfamoyl]phenyl]prop-2-enoic acid
CID 2473312
(E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 8748279
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]prop-2-enamide
CID 46417905
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-(3-hydroxyphenyl)prop-2-enamide
CID 78783176
(2S)-2-[[(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)prop-2-enoyl]amino]-N-propylpropanamide
CID 8733858
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-pentan-2-ylprop-2-enamide
CID 42979719

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide?
The IUPAC name of (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide (CID 30878612) is (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide is CCOc1cc(/C=C/C(=O)NCCCN2CCCC2=O)cc(Cl)c1OC.
What is the InChIKey of (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide?
The InChIKey is ZZXPIUACUNOIMR-BQYQJAHWSA-N. The full InChI is InChI=1S/C19H25ClN2O4/c1-3-26-16-13-14(12-15(20)19(16)25-2)7-8-17(23)21-9-5-11-22-10-4-6-18(22)24/h7-8,12-13H,3-6,9-11H2,1-2H3,(H,21,23)/b8-7+.
What are the key properties of (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide?
(E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide has a molecular weight of 380.87 g/mol, XLogP of 2.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chloro-5-ethoxy-4-methoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]prop-2-enamide is sourced from PubChem (CID 30878612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).