(E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide

C19H21NO3 — CID 110298595

IUPAC(E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide
SMILESCOc1ccc(CNC(=O)/C(C)=C/c2ccccc2)cc1OC
InChIInChI=1S/C19H21NO3/c1-14(11-15-7-5-4-6-8-15)19(21)20-13-16-9-10-17(22-2)18(12-16)23-3/h4-12H,13H2,1-3H3,(H,20,21)/b14-11+
InChIKeyYQNULIJUZJZHDN-SDNWHVSQSA-N
MW311.38 g/mol
LogP3.42
Rot. Bonds6

About (E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide

(E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide (PubChem CID 110298595) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is (E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide
PubChem CID110298595
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name(E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide
SMILESCOc1ccc(CNC(=O)/C(C)=C/c2ccccc2)cc1OC
InChIInChI=1S/C19H21NO3/c1-14(11-15-7-5-4-6-8-15)19(21)20-13-16-9-10-17(22-2)18(12-16)23-3/h4-12H,13H2,1-3H3,(H,20,21)/b14-11+
InChIKeyYQNULIJUZJZHDN-SDNWHVSQSA-N
XLogP3.42
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[(3,4-dimethoxyphenyl)methyl]-3-(2-fluorophenyl)-2-methylprop-2-enamide
CID 110298659
N-[(2-methoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide
CID 4672170
(Z)-2-acetamido-N-[(4-butoxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide
CID 46762320
(E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-en-1-amine
CID 119107695
(E)-N-[2-(3,4-dimethoxyphenyl)sulfonylethyl]-2-methyl-3-phenylprop-2-enamide
CID 110410836
(E)-N-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-2-methyl-3-phenylprop-2-enamide
CID 110302846
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830
(E)-2-methyl-N-[(2-methyl-1H-indol-5-yl)methyl]-3-phenylprop-2-enamide
CID 110425618
N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide
CID 108983891
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925
N-[(3,4-dimethoxyphenyl)methyl]-N'-ethyl-N'-phenyloxamide
CID 108985887
[4-[(carbamoylamino)methyl]-2-methoxyphenyl] (E)-3-phenylprop-2-enoate
CID 174233945

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide?
The IUPAC name of (E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide (CID 110298595) is (E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide.
What is the SMILES notation for (E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide?
The canonical SMILES for (E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide is COc1ccc(CNC(=O)/C(C)=C/c2ccccc2)cc1OC.
What is the InChIKey of (E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide?
The InChIKey is YQNULIJUZJZHDN-SDNWHVSQSA-N. The full InChI is InChI=1S/C19H21NO3/c1-14(11-15-7-5-4-6-8-15)19(21)20-13-16-9-10-17(22-2)18(12-16)23-3/h4-12H,13H2,1-3H3,(H,20,21)/b14-11+.
What are the key properties of (E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide?
(E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide has a molecular weight of 311.38 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(3,4-dimethoxyphenyl)methyl]-2-methyl-3-phenylprop-2-enamide is sourced from PubChem (CID 110298595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).