(E)-2-cyano-N-cyclopropyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide

C16H18N2O2 — CID 1235984

IUPAC(E)-2-cyano-N-cyclopropyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide
SMILESCC(C)Oc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1
InChIInChI=1S/C16H18N2O2/c1-11(2)20-15-7-3-12(4-8-15)9-13(10-17)16(19)18-14-5-6-14/h3-4,7-9,11,14H,5-6H2,1-2H3,(H,18,19)/b13-9+
InChIKeySNWCLGJEFWNOKZ-UKTHLTGXSA-N
MW270.33 g/mol
LogP2.66
Rot. Bonds5

About (E)-2-cyano-N-cyclopropyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide

(E)-2-cyano-N-cyclopropyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide (PubChem CID 1235984) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (E)-2-cyano-N-cyclopropyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-cyclopropyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide
PubChem CID1235984
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(E)-2-cyano-N-cyclopropyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide
SMILESCC(C)Oc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1
InChIInChI=1S/C16H18N2O2/c1-11(2)20-15-7-3-12(4-8-15)9-13(10-17)16(19)18-14-5-6-14/h3-4,7-9,11,14H,5-6H2,1-2H3,(H,18,19)/b13-9+
InChIKeySNWCLGJEFWNOKZ-UKTHLTGXSA-N
XLogP2.66
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-cyclopropyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-N-cyclopropyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide (CID 1235984) is (E)-2-cyano-N-cyclopropyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-cyclopropyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-cyclopropyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide is CC(C)Oc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1.
What is the InChIKey of (E)-2-cyano-N-cyclopropyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide?
The InChIKey is SNWCLGJEFWNOKZ-UKTHLTGXSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(2)20-15-7-3-12(4-8-15)9-13(10-17)16(19)18-14-5-6-14/h3-4,7-9,11,14H,5-6H2,1-2H3,(H,18,19)/b13-9+.
What are the key properties of (E)-2-cyano-N-cyclopropyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide?
(E)-2-cyano-N-cyclopropyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide has a molecular weight of 270.33 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-cyclopropyl-3-(4-propan-2-yloxyphenyl)prop-2-enamide is sourced from PubChem (CID 1235984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).