3-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzamide

C14H16N2O — CID 24697009

IUPAC3-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CN(CC)C(=O)c1cccc(C#N)c1
InChIInChI=1S/C14H16N2O/c1-4-16(10-11(2)3)14(17)13-7-5-6-12(8-13)9-15/h5-8H,2,4,10H2,1,3H3
InChIKeyASPNJNZTRJZYLA-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.60
Rot. Bonds4

About 3-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzamide

3-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzamide (PubChem CID 24697009) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzamide
PubChem CID24697009
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name3-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CN(CC)C(=O)c1cccc(C#N)c1
InChIInChI=1S/C14H16N2O/c1-4-16(10-11(2)3)14(17)13-7-5-6-12(8-13)9-15/h5-8H,2,4,10H2,1,3H3
InChIKeyASPNJNZTRJZYLA-UHFFFAOYSA-N
XLogP2.60
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-cyano-N-(cyanomethyl)-N-ethylbenzamide
CID 47446256
3-cyano-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 60653626
3-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-propylbenzamide
CID 47356566
3-cyano-N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-N-ethylbenzamide
CID 51158448
3-cyano-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61149660
3-cyano-N-ethyl-N-naphthalen-1-ylbenzamide
CID 43823026
3-cyano-N-ethyl-N-(3-methylphenyl)benzamide
CID 60737545
3-cyano-N-ethyl-N-(1-methoxypropan-2-yl)benzamide
CID 54942871
N,N-ditert-butyl-3-cyanobenzamide
CID 59614204
2-[tert-butyl-(3-cyanobenzoyl)amino]acetic acid
CID 79266612
N-ethyl-3,5-dihydroxy-N-(2-methylprop-2-enyl)benzamide
CID 113347115
3-cyano-N-(2-oxopropyl)benzamide
CID 64997343

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzamide?
The IUPAC name of 3-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzamide (CID 24697009) is 3-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzamide.
What is the SMILES notation for 3-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzamide?
The canonical SMILES for 3-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzamide is C=C(C)CN(CC)C(=O)c1cccc(C#N)c1.
What is the InChIKey of 3-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzamide?
The InChIKey is ASPNJNZTRJZYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-4-16(10-11(2)3)14(17)13-7-5-6-12(8-13)9-15/h5-8H,2,4,10H2,1,3H3.
What are the key properties of 3-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzamide?
3-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzamide has a molecular weight of 228.29 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-ethyl-N-(2-methylprop-2-enyl)benzamide is sourced from PubChem (CID 24697009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).