(E)-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-methylprop-2-enamide

C19H21NO4 — CID 84575847

IUPAC(E)-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-methylprop-2-enamide
SMILESCOc1cccc(NC(=O)/C(C)=C/c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C19H21NO4/c1-13(10-14-8-9-17(23-3)18(11-14)24-4)19(21)20-15-6-5-7-16(12-15)22-2/h5-12H,1-4H3,(H,20,21)/b13-10+
InChIKeyBHFBNTFDWKVKPE-JLHYYAGUSA-N
MW327.38 g/mol
LogP3.75
Rot. Bonds6

About (E)-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-methylprop-2-enamide

(E)-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-methylprop-2-enamide (PubChem CID 84575847) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is (E)-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-methylprop-2-enamide
PubChem CID84575847
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-methylprop-2-enamide
SMILESCOc1cccc(NC(=O)/C(C)=C/c2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C19H21NO4/c1-13(10-14-8-9-17(23-3)18(11-14)24-4)19(21)20-15-6-5-7-16(12-15)22-2/h5-12H,1-4H3,(H,20,21)/b13-10+
InChIKeyBHFBNTFDWKVKPE-JLHYYAGUSA-N
XLogP3.75
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.75
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-(3-hydroxy-4-methoxyphenyl)-2-methyl-N-(3-phenylmethoxyphenyl)prop-2-enamide
CID 91476700
ethyl 4-[[(E)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enoyl]amino]benzoate
CID 13205833
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9418815
(E)-2-benzoyl-3-(3-hydroxy-4-methoxyphenyl)-N-(3-methoxyphenyl)prop-2-enamide
CID 9448911
N-[3-(3-acetylanilino)-1-(3,4-dimethoxyphenyl)-3-oxoprop-1-en-2-yl]benzamide
CID 1118396
N-[(E)-1-(3,4-dimethoxyphenyl)-3-[3-[2-(3-methoxyanilino)-2-oxoethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 19308300
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
(E)-N-(3-methoxyphenyl)-3-(3-methoxy-4-prop-2-enoxyphenyl)prop-2-enamide
CID 26914384
2-methoxy-5-[(Z)-[[2-(3-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 8897815
N'-(3-bromophenyl)-N-(3-methoxyphenyl)oxamide
CID 108519610
(E)-N-(5-chloro-2-methylphenyl)-3-(3,4-dimethoxyphenyl)-2-methylprop-2-enamide
CID 84575680
(E)-2-acetamido-3-(3,4-dimethoxyphenyl)-N-(4-phenoxyphenyl)prop-2-enamide
CID 6232272

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-methylprop-2-enamide?
The IUPAC name of (E)-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-methylprop-2-enamide (CID 84575847) is (E)-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-methylprop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-methylprop-2-enamide is COc1cccc(NC(=O)/C(C)=C/c2ccc(OC)c(OC)c2)c1.
What is the InChIKey of (E)-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-methylprop-2-enamide?
The InChIKey is BHFBNTFDWKVKPE-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13(10-14-8-9-17(23-3)18(11-14)24-4)19(21)20-15-6-5-7-16(12-15)22-2/h5-12H,1-4H3,(H,20,21)/b13-10+.
What are the key properties of (E)-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-methylprop-2-enamide?
(E)-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-methylprop-2-enamide has a molecular weight of 327.38 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)-2-methylprop-2-enamide is sourced from PubChem (CID 84575847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).