2-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide

C15H18N2O2 — CID 103338978

IUPAC2-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
SMILESC=CCN(CCOC)C(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C15H18N2O2/c1-3-8-17(9-10-19-2)15(18)11-13-4-6-14(12-16)7-5-13/h3-7H,1,8-11H2,2H3
InChIKeyATWKPMUTUHDLAT-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.76
Rot. Bonds7

About 2-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide

2-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide (PubChem CID 103338978) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
PubChem CID103338978
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
SMILESC=CCN(CCOC)C(=O)Cc1ccc(C#N)cc1
InChIInChI=1S/C15H18N2O2/c1-3-8-17(9-10-19-2)15(18)11-13-4-6-14(12-16)7-5-13/h3-7H,1,8-11H2,2H3
InChIKeyATWKPMUTUHDLAT-UHFFFAOYSA-N
XLogP1.76
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylmethanesulfonamide
CID 107857512
2-(4-cyanophenyl)-N-ethyl-N-propylacetamide
CID 62404728
2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide
CID 103339966
N-(2-methoxyethyl)-3-oxo-N-prop-2-enylbutanamide
CID 103338945
4-cyano-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)benzamide
CID 121085063
N-(2-hydroxyethyl)-2-(4-hydroxyphenyl)-N-prop-2-enylacetamide
CID 113340604
2-(4-cyanophenyl)-N-(3-methoxypropyl)acetamide
CID 62404738
2-(4-aminophenyl)-N,N-bis(prop-2-enyl)acetamide
CID 24699849
4-chloro-N-(2-methoxyethyl)-N-prop-2-enylbutanamide
CID 103338580
5-bromo-N-(2-methoxyethyl)-N-prop-2-enylpentanamide
CID 107910751
4-(2-oxobut-3-enyl)benzonitrile
CID 142778035
2-(3,4-dimethoxyphenyl)-N,N-bis(prop-2-enyl)acetamide
CID 720349

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide (CID 103338978) is 2-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide is C=CCN(CCOC)C(=O)Cc1ccc(C#N)cc1.
What is the InChIKey of 2-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide?
The InChIKey is ATWKPMUTUHDLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-8-17(9-10-19-2)15(18)11-13-4-6-14(12-16)7-5-13/h3-7H,1,8-11H2,2H3.
What are the key properties of 2-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide?
2-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide has a molecular weight of 258.32 g/mol, XLogP of 1.76, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenyl)-N-(2-methoxyethyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 103338978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).