4-cyano-N-propan-2-yl-N-prop-2-enylbenzamide

C14H16N2O — CID 113221979

IUPAC4-cyano-N-propan-2-yl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1ccc(C#N)cc1)C(C)C
InChIInChI=1S/C14H16N2O/c1-4-9-16(11(2)3)14(17)13-7-5-12(10-15)6-8-13/h4-8,11H,1,9H2,2-3H3
InChIKeyRBFKTIFQUYTNKJ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.59
Rot. Bonds4

About 4-cyano-N-propan-2-yl-N-prop-2-enylbenzamide

4-cyano-N-propan-2-yl-N-prop-2-enylbenzamide (PubChem CID 113221979) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-cyano-N-propan-2-yl-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-cyano-N-propan-2-yl-N-prop-2-enylbenzamide
PubChem CID113221979
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name4-cyano-N-propan-2-yl-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1ccc(C#N)cc1)C(C)C
InChIInChI=1S/C14H16N2O/c1-4-9-16(11(2)3)14(17)13-7-5-12(10-15)6-8-13/h4-8,11H,1,9H2,2-3H3
InChIKeyRBFKTIFQUYTNKJ-UHFFFAOYSA-N
XLogP2.59
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-propan-2-yl-N-prop-2-enylbenzamide?
The IUPAC name of 4-cyano-N-propan-2-yl-N-prop-2-enylbenzamide (CID 113221979) is 4-cyano-N-propan-2-yl-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-cyano-N-propan-2-yl-N-prop-2-enylbenzamide?
The canonical SMILES for 4-cyano-N-propan-2-yl-N-prop-2-enylbenzamide is C=CCN(C(=O)c1ccc(C#N)cc1)C(C)C.
What is the InChIKey of 4-cyano-N-propan-2-yl-N-prop-2-enylbenzamide?
The InChIKey is RBFKTIFQUYTNKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-4-9-16(11(2)3)14(17)13-7-5-12(10-15)6-8-13/h4-8,11H,1,9H2,2-3H3.
What are the key properties of 4-cyano-N-propan-2-yl-N-prop-2-enylbenzamide?
4-cyano-N-propan-2-yl-N-prop-2-enylbenzamide has a molecular weight of 228.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-propan-2-yl-N-prop-2-enylbenzamide is sourced from PubChem (CID 113221979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).