(E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

C24H25ClN2O4 — CID 60576211

IUPAC(E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(N2CCCC2=O)cc1)Nc1cc(Cl)ccc1OCC1CCCO1
InChIInChI=1S/C24H25ClN2O4/c25-18-8-11-22(31-16-20-3-2-14-30-20)21(15-18)26-23(28)12-7-17-5-9-19(10-6-17)27-13-1-4-24(27)29/h5-12,15,20H,1-4,13-14,16H2,(H,26,28)/b12-7+
InChIKeyILUBBRLKOIUVHX-KPKJPENVSA-N
MW440.93 g/mol
LogP4.68
Rot. Bonds7

About (E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide

(E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide (PubChem CID 60576211) has the molecular formula C24H25ClN2O4 and a molecular weight of 440.93 g/mol. Its IUPAC name is (E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
PubChem CID60576211
Molecular FormulaC24H25ClN2O4
Molecular Weight440.93 g/mol
Exact Mass440.15
IUPAC Name(E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(N2CCCC2=O)cc1)Nc1cc(Cl)ccc1OCC1CCCO1
InChIInChI=1S/C24H25ClN2O4/c25-18-8-11-22(31-16-20-3-2-14-30-20)21(15-18)26-23(28)12-7-17-5-9-19(10-6-17)27-13-1-4-24(27)29/h5-12,15,20H,1-4,13-14,16H2,(H,26,28)/b12-7+
InChIKeyILUBBRLKOIUVHX-KPKJPENVSA-N
XLogP4.68
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-acetamidophenyl)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 76869524
(E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(3-fluorophenyl)prop-2-enamide
CID 60576018
(E)-N-(4-chloro-2-methylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 46699334
(E)-N-(5-chloro-2-morpholin-4-ylphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 46689489
N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-(2-ethoxyphenyl)prop-2-enamide
CID 76869519
(E)-N-(2,5-diethoxyphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 41295334
(E)-3-(4-chlorophenyl)-N-[4-(oxolan-2-ylmethoxy)phenyl]prop-2-enamide
CID 17195491
N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 47071343
(E)-N-(7-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 41225197
(E)-N-(5-bromo-2-methoxyphenyl)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide
CID 94637515
4-amino-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119300240
methyl 4-chloro-3-[[(E)-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enoyl]amino]benzoate
CID 52548836

Frequently Asked Questions

What is the IUPAC name of (E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide (CID 60576211) is (E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(N2CCCC2=O)cc1)Nc1cc(Cl)ccc1OCC1CCCO1.
What is the InChIKey of (E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
The InChIKey is ILUBBRLKOIUVHX-KPKJPENVSA-N. The full InChI is InChI=1S/C24H25ClN2O4/c25-18-8-11-22(31-16-20-3-2-14-30-20)21(15-18)26-23(28)12-7-17-5-9-19(10-6-17)27-13-1-4-24(27)29/h5-12,15,20H,1-4,13-14,16H2,(H,26,28)/b12-7+.
What are the key properties of (E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide?
(E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide has a molecular weight of 440.93 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[5-chloro-2-(oxolan-2-ylmethoxy)phenyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 60576211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).