(E)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide

C20H22N2O4 — CID 46551428

IUPAC(E)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NCC(=O)Nc2cc(C)ccc2OC)c1
InChIInChI=1S/C20H22N2O4/c1-14-7-9-18(26-3)17(11-14)22-20(24)13-21-19(23)10-8-15-5-4-6-16(12-15)25-2/h4-12H,13H2,1-3H3,(H,21,23)(H,22,24)/b10-8+
InChIKeyXSFKXFQOMYOAFY-CSKARUKUSA-N
MW354.41 g/mol
LogP2.78
Rot. Bonds7

About (E)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide

(E)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide (PubChem CID 46551428) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (E)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide
PubChem CID46551428
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(E)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)NCC(=O)Nc2cc(C)ccc2OC)c1
InChIInChI=1S/C20H22N2O4/c1-14-7-9-18(26-3)17(11-14)22-20(24)13-21-19(23)10-8-15-5-4-6-16(12-15)25-2/h4-12H,13H2,1-3H3,(H,21,23)(H,22,24)/b10-8+
InChIKeyXSFKXFQOMYOAFY-CSKARUKUSA-N
XLogP2.78
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chlorophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 887196
(E)-3-(3-bromophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 2060872
2-(3-formylphenoxy)-N-(2-methoxy-5-methylphenyl)acetamide
CID 7128211
N-[2-(2,5-dimethoxyanilino)-2-oxoethyl]-3-methylbenzamide
CID 3503389
N'-(2,5-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanediamide
CID 108955778
(E)-3-(3-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
CID 7761266
(E)-N-(5-chloro-2-methoxyphenyl)-3-(3-methylphenyl)prop-2-enamide
CID 8763498
N-(2-methoxy-5-methylphenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996806
(E)-N-(2-azidoethyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 95936690
(E)-3-(3-bromophenyl)-N-(2,5-dimethoxyphenyl)prop-2-enamide
CID 6025660
N-(2-hydroxy-2-methylpropyl)-3-(3-methoxyphenyl)prop-2-enamide
CID 77056258
(E)-3-(4-acetamidophenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 31252704

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide (CID 46551428) is (E)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide is COc1cccc(/C=C/C(=O)NCC(=O)Nc2cc(C)ccc2OC)c1.
What is the InChIKey of (E)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide?
The InChIKey is XSFKXFQOMYOAFY-CSKARUKUSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14-7-9-18(26-3)17(11-14)22-20(24)13-21-19(23)10-8-15-5-4-6-16(12-15)25-2/h4-12H,13H2,1-3H3,(H,21,23)(H,22,24)/b10-8+.
What are the key properties of (E)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide?
(E)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide has a molecular weight of 354.41 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 46551428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).