2-cyano-3-(4-methoxy-2,5-dimethylphenyl)-N-(2-methoxyethyl)prop-2-enamide

C16H20N2O3 — CID 3731538

IUPAC2-cyano-3-(4-methoxy-2,5-dimethylphenyl)-N-(2-methoxyethyl)prop-2-enamide
SMILESCOCCNC(=O)C(C#N)=Cc1cc(C)c(OC)cc1C
InChIInChI=1S/C16H20N2O3/c1-11-8-15(21-4)12(2)7-13(11)9-14(10-17)16(19)18-5-6-20-3/h7-9H,5-6H2,1-4H3,(H,18,19)
InChIKeyKUVGPSVOEQFXON-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.98
Rot. Bonds6

About 2-cyano-3-(4-methoxy-2,5-dimethylphenyl)-N-(2-methoxyethyl)prop-2-enamide

2-cyano-3-(4-methoxy-2,5-dimethylphenyl)-N-(2-methoxyethyl)prop-2-enamide (PubChem CID 3731538) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-cyano-3-(4-methoxy-2,5-dimethylphenyl)-N-(2-methoxyethyl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-3-(4-methoxy-2,5-dimethylphenyl)-N-(2-methoxyethyl)prop-2-enamide
PubChem CID3731538
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name2-cyano-3-(4-methoxy-2,5-dimethylphenyl)-N-(2-methoxyethyl)prop-2-enamide
SMILESCOCCNC(=O)C(C#N)=Cc1cc(C)c(OC)cc1C
InChIInChI=1S/C16H20N2O3/c1-11-8-15(21-4)12(2)7-13(11)9-14(10-17)16(19)18-5-6-20-3/h7-9H,5-6H2,1-4H3,(H,18,19)
InChIKeyKUVGPSVOEQFXON-UHFFFAOYSA-N
XLogP1.98
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 2343298
(Z)-N-benzyl-2-cyano-3-(4,5-dimethoxy-2-methylphenyl)prop-2-enamide
CID 124570330
(E)-2-cyano-3-[3-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]phenyl]-N-(2-methoxyethyl)prop-2-enamide
CID 2423595
3-(2-bromophenyl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide
CID 3437484
(E)-2-cyano-N-(2-methoxyethyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 19174354
(E)-2-cyano-N-(2-methoxyethyl)-3-(2-propan-2-yloxyphenyl)prop-2-enamide
CID 2423454
[4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]phenyl] 3,4-dimethoxybenzoate
CID 19211175
(Z)-2-cyano-3-(3,5-dibromo-4-hydroxyphenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 2362129
(Z)-2-cyano-3-(3-ethoxy-2-hydroxyphenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 2438606
2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)-N-(3-methoxypropyl)prop-2-enamide
CID 4562438
(E)-2-cyano-3-(3,4-diethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 124628043
[4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 3,4-dimethoxybenzoate
CID 19182142

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(4-methoxy-2,5-dimethylphenyl)-N-(2-methoxyethyl)prop-2-enamide?
The IUPAC name of 2-cyano-3-(4-methoxy-2,5-dimethylphenyl)-N-(2-methoxyethyl)prop-2-enamide (CID 3731538) is 2-cyano-3-(4-methoxy-2,5-dimethylphenyl)-N-(2-methoxyethyl)prop-2-enamide.
What is the SMILES notation for 2-cyano-3-(4-methoxy-2,5-dimethylphenyl)-N-(2-methoxyethyl)prop-2-enamide?
The canonical SMILES for 2-cyano-3-(4-methoxy-2,5-dimethylphenyl)-N-(2-methoxyethyl)prop-2-enamide is COCCNC(=O)C(C#N)=Cc1cc(C)c(OC)cc1C.
What is the InChIKey of 2-cyano-3-(4-methoxy-2,5-dimethylphenyl)-N-(2-methoxyethyl)prop-2-enamide?
The InChIKey is KUVGPSVOEQFXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-8-15(21-4)12(2)7-13(11)9-14(10-17)16(19)18-5-6-20-3/h7-9H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 2-cyano-3-(4-methoxy-2,5-dimethylphenyl)-N-(2-methoxyethyl)prop-2-enamide?
2-cyano-3-(4-methoxy-2,5-dimethylphenyl)-N-(2-methoxyethyl)prop-2-enamide has a molecular weight of 288.35 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(4-methoxy-2,5-dimethylphenyl)-N-(2-methoxyethyl)prop-2-enamide is sourced from PubChem (CID 3731538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).