(E)-2-cyano-N-(2-methoxyethyl)-4,4-dimethylpent-2-enamide

C11H18N2O2 — CID 139315236

IUPAC(E)-2-cyano-N-(2-methoxyethyl)-4,4-dimethylpent-2-enamide
SMILESCOCCNC(=O)/C(C#N)=C/C(C)(C)C
InChIInChI=1S/C11H18N2O2/c1-11(2,3)7-9(8-12)10(14)13-5-6-15-4/h7H,5-6H2,1-4H3,(H,13,14)/b9-7+
InChIKeyOMELNOMZEVYBAK-VQHVLOKHSA-N
MW210.28 g/mol
LogP1.25
Rot. Bonds4

About (E)-2-cyano-N-(2-methoxyethyl)-4,4-dimethylpent-2-enamide

(E)-2-cyano-N-(2-methoxyethyl)-4,4-dimethylpent-2-enamide (PubChem CID 139315236) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (E)-2-cyano-N-(2-methoxyethyl)-4,4-dimethylpent-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-(2-methoxyethyl)-4,4-dimethylpent-2-enamide
PubChem CID139315236
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name(E)-2-cyano-N-(2-methoxyethyl)-4,4-dimethylpent-2-enamide
SMILESCOCCNC(=O)/C(C#N)=C/C(C)(C)C
InChIInChI=1S/C11H18N2O2/c1-11(2,3)7-9(8-12)10(14)13-5-6-15-4/h7H,5-6H2,1-4H3,(H,13,14)/b9-7+
InChIKeyOMELNOMZEVYBAK-VQHVLOKHSA-N
XLogP1.25
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

(Z)-2-cyano-3-(2-cyanoethylamino)-N-(2-methoxyethyl)prop-2-enamide
CID 108833537
(E)-2-cyano-3-[3-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]phenyl]-N-(2-methoxyethyl)prop-2-enamide
CID 2423595
(Z)-3-(azepan-1-yl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide
CID 108833330
(Z)-2-cyano-N-(2-methoxyethyl)-3-(prop-2-enylamino)prop-2-enamide
CID 108833377
(Z)-2-cyano-N-(2-methoxyethyl)-3-(pentylamino)prop-2-enamide
CID 108833334
(Z)-2-cyano-3-[2-(dimethylamino)ethylamino]-N-(2-methoxyethyl)prop-2-enamide
CID 108833409
3-(2-bromophenyl)-2-cyano-N-(2-methoxyethyl)prop-2-enamide
CID 3437484
(Z)-2-cyano-3-(3,5-dibromo-4-hydroxyphenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 2362129
(E)-2-cyano-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(2-methoxyethyl)prop-2-enamide
CID 2343298
(Z)-2-cyano-N-(2-methoxyethyl)-3-(4-methylanilino)prop-2-enamide
CID 108833181
(Z)-2-cyano-3-(3-ethoxypropylamino)-N-(2-methoxyethyl)prop-2-enamide
CID 108833226
(E)-2-cyano-N-(2-methoxyethyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 19174354

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-(2-methoxyethyl)-4,4-dimethylpent-2-enamide?
The IUPAC name of (E)-2-cyano-N-(2-methoxyethyl)-4,4-dimethylpent-2-enamide (CID 139315236) is (E)-2-cyano-N-(2-methoxyethyl)-4,4-dimethylpent-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-(2-methoxyethyl)-4,4-dimethylpent-2-enamide?
The canonical SMILES for (E)-2-cyano-N-(2-methoxyethyl)-4,4-dimethylpent-2-enamide is COCCNC(=O)/C(C#N)=C/C(C)(C)C.
What is the InChIKey of (E)-2-cyano-N-(2-methoxyethyl)-4,4-dimethylpent-2-enamide?
The InChIKey is OMELNOMZEVYBAK-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(2,3)7-9(8-12)10(14)13-5-6-15-4/h7H,5-6H2,1-4H3,(H,13,14)/b9-7+.
What are the key properties of (E)-2-cyano-N-(2-methoxyethyl)-4,4-dimethylpent-2-enamide?
(E)-2-cyano-N-(2-methoxyethyl)-4,4-dimethylpent-2-enamide has a molecular weight of 210.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-(2-methoxyethyl)-4,4-dimethylpent-2-enamide is sourced from PubChem (CID 139315236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).