(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide

C20H22ClNO4 — CID 84551986

IUPAC(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
SMILESCOc1cc(C)c(/C=C/C(=O)Nc2cc(OC)c(Cl)cc2OC)c(C)c1
InChIInChI=1S/C20H22ClNO4/c1-12-8-14(24-3)9-13(2)15(12)6-7-20(23)22-17-11-18(25-4)16(21)10-19(17)26-5/h6-11H,1-5H3,(H,22,23)/b7-6+
InChIKeyFYQPYFPGJQIOFA-VOTSOKGWSA-N
MW375.85 g/mol
LogP4.63
Rot. Bonds6

About (E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide

(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide (PubChem CID 84551986) has the molecular formula C20H22ClNO4 and a molecular weight of 375.85 g/mol. Its IUPAC name is (E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
PubChem CID84551986
Molecular FormulaC20H22ClNO4
Molecular Weight375.85 g/mol
Exact Mass375.12
IUPAC Name(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
SMILESCOc1cc(C)c(/C=C/C(=O)Nc2cc(OC)c(Cl)cc2OC)c(C)c1
InChIInChI=1S/C20H22ClNO4/c1-12-8-14(24-3)9-13(2)15(12)6-7-20(23)22-17-11-18(25-4)16(21)10-19(17)26-5/h6-11H,1-5H3,(H,22,23)/b7-6+
InChIKeyFYQPYFPGJQIOFA-VOTSOKGWSA-N
XLogP4.63
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.85
LogP ≤ 54.63
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

(E)-N-(2,4-dimethoxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84552012
N-(4-chloro-2,5-dimethoxyphenyl)but-2-enamide
CID 2839569
(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 84551958
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(4-chloro-2,5-dimethoxyphenyl)prop-2-enamide
CID 9438970
(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 1181184
(2E,4E)-N-(4-chloro-2,5-dimethoxyphenyl)hexa-2,4-dienamide
CID 9439076
N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1069724
N-(4-chloro-2,5-dimethoxyphenyl)prop-2-enamide
CID 43616303
(E)-N-(4-bromo-2-methylphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide
CID 84552238
(E)-3-(2,6-dichlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide
CID 26877037
(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-[4-(methanesulfonamido)phenyl]prop-2-enamide
CID 30296515
1-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2-methylphenyl)urea
CID 46860261

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide (CID 84551986) is (E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide is COc1cc(C)c(/C=C/C(=O)Nc2cc(OC)c(Cl)cc2OC)c(C)c1.
What is the InChIKey of (E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide?
The InChIKey is FYQPYFPGJQIOFA-VOTSOKGWSA-N. The full InChI is InChI=1S/C20H22ClNO4/c1-12-8-14(24-3)9-13(2)15(12)6-7-20(23)22-17-11-18(25-4)16(21)10-19(17)26-5/h6-11H,1-5H3,(H,22,23)/b7-6+.
What are the key properties of (E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide?
(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide has a molecular weight of 375.85 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(4-methoxy-2,6-dimethylphenyl)prop-2-enamide is sourced from PubChem (CID 84551986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).