(E)-N-cyclohexyl-3-methyl-4-phenylbut-3-enamide

C17H23NO — CID 6442278

IUPAC(E)-N-cyclohexyl-3-methyl-4-phenylbut-3-enamide
SMILESC/C(=C\c1ccccc1)CC(=O)NC1CCCCC1
InChIInChI=1S/C17H23NO/c1-14(12-15-8-4-2-5-9-15)13-17(19)18-16-10-6-3-7-11-16/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3,(H,18,19)/b14-12+
InChIKeyFUWUVSZMCJVUAN-WYMLVPIESA-N
MW257.38 g/mol
LogP3.93
Rot. Bonds4

About (E)-N-cyclohexyl-3-methyl-4-phenylbut-3-enamide

(E)-N-cyclohexyl-3-methyl-4-phenylbut-3-enamide (PubChem CID 6442278) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is (E)-N-cyclohexyl-3-methyl-4-phenylbut-3-enamide.

Molecular Properties

Compound Name(E)-N-cyclohexyl-3-methyl-4-phenylbut-3-enamide
PubChem CID6442278
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name(E)-N-cyclohexyl-3-methyl-4-phenylbut-3-enamide
SMILESC/C(=C\c1ccccc1)CC(=O)NC1CCCCC1
InChIInChI=1S/C17H23NO/c1-14(12-15-8-4-2-5-9-15)13-17(19)18-16-10-6-3-7-11-16/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3,(H,18,19)/b14-12+
InChIKeyFUWUVSZMCJVUAN-WYMLVPIESA-N
XLogP3.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclohexyl-3-methyl-4-phenylbut-3-enamide?
The IUPAC name of (E)-N-cyclohexyl-3-methyl-4-phenylbut-3-enamide (CID 6442278) is (E)-N-cyclohexyl-3-methyl-4-phenylbut-3-enamide.
What is the SMILES notation for (E)-N-cyclohexyl-3-methyl-4-phenylbut-3-enamide?
The canonical SMILES for (E)-N-cyclohexyl-3-methyl-4-phenylbut-3-enamide is C/C(=C\c1ccccc1)CC(=O)NC1CCCCC1.
What is the InChIKey of (E)-N-cyclohexyl-3-methyl-4-phenylbut-3-enamide?
The InChIKey is FUWUVSZMCJVUAN-WYMLVPIESA-N. The full InChI is InChI=1S/C17H23NO/c1-14(12-15-8-4-2-5-9-15)13-17(19)18-16-10-6-3-7-11-16/h2,4-5,8-9,12,16H,3,6-7,10-11,13H2,1H3,(H,18,19)/b14-12+.
What are the key properties of (E)-N-cyclohexyl-3-methyl-4-phenylbut-3-enamide?
(E)-N-cyclohexyl-3-methyl-4-phenylbut-3-enamide has a molecular weight of 257.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclohexyl-3-methyl-4-phenylbut-3-enamide is sourced from PubChem (CID 6442278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).