(Z)-3-(4-methoxyanilino)-N-(4-methoxyphenyl)-5-oxohex-2-enamide

C20H22N2O4 — CID 110167930

IUPAC(Z)-3-(4-methoxyanilino)-N-(4-methoxyphenyl)-5-oxohex-2-enamide
SMILESCOc1ccc(NC(=O)/C=C(/CC(C)=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H22N2O4/c1-14(23)12-17(21-15-4-8-18(25-2)9-5-15)13-20(24)22-16-6-10-19(26-3)11-7-16/h4-11,13,21H,12H2,1-3H3,(H,22,24)/b17-13-
InChIKeyOQFPNGHWGVHGOD-LGMDPLHJSA-N
MW354.41 g/mol
LogP3.62
Rot. Bonds8

About (Z)-3-(4-methoxyanilino)-N-(4-methoxyphenyl)-5-oxohex-2-enamide

(Z)-3-(4-methoxyanilino)-N-(4-methoxyphenyl)-5-oxohex-2-enamide (PubChem CID 110167930) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is (Z)-3-(4-methoxyanilino)-N-(4-methoxyphenyl)-5-oxohex-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-methoxyanilino)-N-(4-methoxyphenyl)-5-oxohex-2-enamide
PubChem CID110167930
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name(Z)-3-(4-methoxyanilino)-N-(4-methoxyphenyl)-5-oxohex-2-enamide
SMILESCOc1ccc(NC(=O)/C=C(/CC(C)=O)Nc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H22N2O4/c1-14(23)12-17(21-15-4-8-18(25-2)9-5-15)13-20(24)22-16-6-10-19(26-3)11-7-16/h4-11,13,21H,12H2,1-3H3,(H,22,24)/b17-13-
InChIKeyOQFPNGHWGVHGOD-LGMDPLHJSA-N
XLogP3.62
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dimethyl (Z)-3-(4-methoxyanilino)pent-2-enedioate
CID 5381085
(4-methoxyphenyl)carbamothioic S-acid
CID 12725828
(E)-N'-(4-methoxyphenyl)-N-(2-methylpropyl)but-2-enediamide
CID 110172316
1,3-bis(4-methoxyphenyl)urea
CID 139045428
(E)-N-(4-methoxyphenyl)-4-methylpent-2-enamide
CID 127125735
N-[4-(4-methoxyphenoxy)phenyl]prop-2-enamide
CID 135290524
N-(4-methoxyphenyl)-4-(3-oxobutanoylamino)benzamide
CID 110178700
N,N'-bis(4-methoxyphenyl)dodecanediamide
CID 5187461
3-(4-methoxyanilino)-1-phenylpent-2-en-1-one
CID 3777683
ethyl (Z)-3-(4-methoxyanilino)but-2-enoate
CID 5394780
N-(4-methoxyphenyl)-2-oxopropanethioamide
CID 15191748
N-(4-methoxyphenyl)acetamide;sulfuryl dichloride
CID 88785543

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-methoxyanilino)-N-(4-methoxyphenyl)-5-oxohex-2-enamide?
The IUPAC name of (Z)-3-(4-methoxyanilino)-N-(4-methoxyphenyl)-5-oxohex-2-enamide (CID 110167930) is (Z)-3-(4-methoxyanilino)-N-(4-methoxyphenyl)-5-oxohex-2-enamide.
What is the SMILES notation for (Z)-3-(4-methoxyanilino)-N-(4-methoxyphenyl)-5-oxohex-2-enamide?
The canonical SMILES for (Z)-3-(4-methoxyanilino)-N-(4-methoxyphenyl)-5-oxohex-2-enamide is COc1ccc(NC(=O)/C=C(/CC(C)=O)Nc2ccc(OC)cc2)cc1.
What is the InChIKey of (Z)-3-(4-methoxyanilino)-N-(4-methoxyphenyl)-5-oxohex-2-enamide?
The InChIKey is OQFPNGHWGVHGOD-LGMDPLHJSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14(23)12-17(21-15-4-8-18(25-2)9-5-15)13-20(24)22-16-6-10-19(26-3)11-7-16/h4-11,13,21H,12H2,1-3H3,(H,22,24)/b17-13-.
What are the key properties of (Z)-3-(4-methoxyanilino)-N-(4-methoxyphenyl)-5-oxohex-2-enamide?
(Z)-3-(4-methoxyanilino)-N-(4-methoxyphenyl)-5-oxohex-2-enamide has a molecular weight of 354.41 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-methoxyanilino)-N-(4-methoxyphenyl)-5-oxohex-2-enamide is sourced from PubChem (CID 110167930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).