(E)-N-[(4-cyanophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)hex-4-enamide

C19H26N2O2 — CID 166316469

IUPAC(E)-N-[(4-cyanophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)hex-4-enamide
SMILESC/C=C/CC(CC)C(=O)N(CCOC)Cc1ccc(C#N)cc1
InChIInChI=1S/C19H26N2O2/c1-4-6-7-18(5-2)19(22)21(12-13-23-3)15-17-10-8-16(14-20)9-11-17/h4,6,8-11,18H,5,7,12-13,15H2,1-3H3/b6-4+
InChIKeyXOSYUQHOPGYBEV-GQCTYLIASA-N
MW314.43 g/mol
LogP3.53
Rot. Bonds9

About (E)-N-[(4-cyanophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)hex-4-enamide

(E)-N-[(4-cyanophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)hex-4-enamide (PubChem CID 166316469) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is (E)-N-[(4-cyanophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)hex-4-enamide.

Molecular Properties

Compound Name(E)-N-[(4-cyanophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)hex-4-enamide
PubChem CID166316469
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name(E)-N-[(4-cyanophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)hex-4-enamide
SMILESC/C=C/CC(CC)C(=O)N(CCOC)Cc1ccc(C#N)cc1
InChIInChI=1S/C19H26N2O2/c1-4-6-7-18(5-2)19(22)21(12-13-23-3)15-17-10-8-16(14-20)9-11-17/h4,6,8-11,18H,5,7,12-13,15H2,1-3H3/b6-4+
InChIKeyXOSYUQHOPGYBEV-GQCTYLIASA-N
XLogP3.53
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[(4-cyanophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)hex-4-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-2-amino-N-[(4-cyanophenyl)methyl]-3-methyl-N-propylpentanamide
CID 61163539
4-cyano-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 121085063
N-[(4-cyanophenyl)methyl]-N-propylbut-2-enamide
CID 112725777
2-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103338978
2-amino-N-[(4-cyanophenyl)methyl]-N-propylpentanamide
CID 60944200
N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 122156009
2-amino-N-[(4-cyanophenyl)methyl]-3-methoxy-N-methylpropanamide
CID 81082817
(2S)-2-amino-N-[(4-cyanophenyl)methyl]-N-propylhexanamide
CID 107144457
3-[(3-bromobenzoyl)amino]-N-[(4-cyanophenyl)methyl]-N-(2-methoxyethyl)benzamide
CID 112832674
N-[(4-cyanophenyl)methyl]-2-methoxy-2-methyl-N-propylpropanamide
CID 103028790
N-benzyl-2,2-difluoro-N-(2-methoxyethyl)acetamide
CID 103515233
N-[(4-cyanophenyl)methyl]-N-[2-(dimethylamino)ethyl]-3-(2,3-dimethylphenoxy)propanamide
CID 55717458

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-cyanophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)hex-4-enamide?
The IUPAC name of (E)-N-[(4-cyanophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)hex-4-enamide (CID 166316469) is (E)-N-[(4-cyanophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)hex-4-enamide.
What is the SMILES notation for (E)-N-[(4-cyanophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)hex-4-enamide?
The canonical SMILES for (E)-N-[(4-cyanophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)hex-4-enamide is C/C=C/CC(CC)C(=O)N(CCOC)Cc1ccc(C#N)cc1.
What is the InChIKey of (E)-N-[(4-cyanophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)hex-4-enamide?
The InChIKey is XOSYUQHOPGYBEV-GQCTYLIASA-N. The full InChI is InChI=1S/C19H26N2O2/c1-4-6-7-18(5-2)19(22)21(12-13-23-3)15-17-10-8-16(14-20)9-11-17/h4,6,8-11,18H,5,7,12-13,15H2,1-3H3/b6-4+.
What are the key properties of (E)-N-[(4-cyanophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)hex-4-enamide?
(E)-N-[(4-cyanophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)hex-4-enamide has a molecular weight of 314.43 g/mol, XLogP of 3.53, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-cyanophenyl)methyl]-2-ethyl-N-(2-methoxyethyl)hex-4-enamide is sourced from PubChem (CID 166316469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).