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

C15H18N2O3 — CID 134015026

IUPAC(E)-N-(2-cyanoethyl)-3-(2,4-dimethoxyphenyl)-N-methylprop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N(C)CCC#N)c(OC)c1
InChIInChI=1S/C15H18N2O3/c1-17(10-4-9-16)15(18)8-6-12-5-7-13(19-2)11-14(12)20-3/h5-8,11H,4,10H2,1-3H3/b8-6+
InChIKeySKVGLZPPXFPDQG-SOFGYWHQSA-N
MW274.32 g/mol
LogP2.09
Rot. Bonds6

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

(E)-N-(2-cyanoethyl)-3-(2,4-dimethoxyphenyl)-N-methylprop-2-enamide (PubChem CID 134015026) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is (E)-N-(2-cyanoethyl)-3-(2,4-dimethoxyphenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-cyanoethyl)-3-(2,4-dimethoxyphenyl)-N-methylprop-2-enamide
PubChem CID134015026
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name(E)-N-(2-cyanoethyl)-3-(2,4-dimethoxyphenyl)-N-methylprop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)N(C)CCC#N)c(OC)c1
InChIInChI=1S/C15H18N2O3/c1-17(10-4-9-16)15(18)8-6-12-5-7-13(19-2)11-14(12)20-3/h5-8,11H,4,10H2,1-3H3/b8-6+
InChIKeySKVGLZPPXFPDQG-SOFGYWHQSA-N
XLogP2.09
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.09
H-Bond Donors ≤ 50
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,N-bis(2-chloroethyl)-3-(2,4-dimethoxyphenyl)prop-2-enamide
CID 11012991
[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 7788010
(E)-N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2,4-dimethoxyphenyl)-N-methylprop-2-enamide
CID 34984603
(1E,6E)-1,7-bis(2,4-dimethoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68552465
3-[[3-(2,4-dimethoxyphenyl)prop-2-enoyl-methylamino]methyl]benzamide
CID 55920663
(E)-3-(2,4-dimethoxyphenyl)-1-(3,5-dimethoxyphenyl)prop-2-en-1-one
CID 10131464
3-(2,4-dimethoxyphenyl)-N-ethyl-N-[1-(4-methoxyphenyl)propan-2-yl]prop-2-enamide
CID 72689490
(E)-4-(2,4-dimethoxyphenyl)-2-oxobut-3-enoic acid
CID 82159207
N-(2-cyanoethyl)-3-(3,4-diethoxyphenyl)-N-methylprop-2-enamide
CID 78805506
1-(2,4-dimethoxyphenyl)penta-1,4-dien-3-one
CID 175699870
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide
CID 9482673
2-amino-N-(2-cyanoethyl)-5-methoxy-N-methylbenzamide
CID 54878508

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-cyanoethyl)-3-(2,4-dimethoxyphenyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-N-(2-cyanoethyl)-3-(2,4-dimethoxyphenyl)-N-methylprop-2-enamide (CID 134015026) is (E)-N-(2-cyanoethyl)-3-(2,4-dimethoxyphenyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-N-(2-cyanoethyl)-3-(2,4-dimethoxyphenyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-N-(2-cyanoethyl)-3-(2,4-dimethoxyphenyl)-N-methylprop-2-enamide is COc1ccc(/C=C/C(=O)N(C)CCC#N)c(OC)c1.
What is the InChIKey of (E)-N-(2-cyanoethyl)-3-(2,4-dimethoxyphenyl)-N-methylprop-2-enamide?
The InChIKey is SKVGLZPPXFPDQG-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-17(10-4-9-16)15(18)8-6-12-5-7-13(19-2)11-14(12)20-3/h5-8,11H,4,10H2,1-3H3/b8-6+.
What are the key properties of (E)-N-(2-cyanoethyl)-3-(2,4-dimethoxyphenyl)-N-methylprop-2-enamide?
(E)-N-(2-cyanoethyl)-3-(2,4-dimethoxyphenyl)-N-methylprop-2-enamide has a molecular weight of 274.32 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-cyanoethyl)-3-(2,4-dimethoxyphenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 134015026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).