2-cyclohexyl-N-phenylprop-2-enamide;ethane

C17H25NO — CID 170964049

IUPAC2-cyclohexyl-N-phenylprop-2-enamide;ethane
SMILESC=C(C(=O)Nc1ccccc1)C1CCCCC1.CC
InChIInChI=1S/C15H19NO.C2H6/c1-12(13-8-4-2-5-9-13)15(17)16-14-10-6-3-7-11-14;1-2/h3,6-7,10-11,13H,1-2,4-5,8-9H2,(H,16,17);1-2H3
InChIKeyZFDKYPBPXNBEGO-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.79
Rot. Bonds3

About 2-cyclohexyl-N-phenylprop-2-enamide;ethane

2-cyclohexyl-N-phenylprop-2-enamide;ethane (PubChem CID 170964049) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-cyclohexyl-N-phenylprop-2-enamide;ethane.

Molecular Properties

Compound Name2-cyclohexyl-N-phenylprop-2-enamide;ethane
PubChem CID170964049
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name2-cyclohexyl-N-phenylprop-2-enamide;ethane
SMILESC=C(C(=O)Nc1ccccc1)C1CCCCC1.CC
InChIInChI=1S/C15H19NO.C2H6/c1-12(13-8-4-2-5-9-13)15(17)16-14-10-6-3-7-11-14;1-2/h3,6-7,10-11,13H,1-2,4-5,8-9H2,(H,16,17);1-2H3
InChIKeyZFDKYPBPXNBEGO-UHFFFAOYSA-N
XLogP4.79
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-phenylprop-2-enamide;ethane?
The IUPAC name of 2-cyclohexyl-N-phenylprop-2-enamide;ethane (CID 170964049) is 2-cyclohexyl-N-phenylprop-2-enamide;ethane.
What is the SMILES notation for 2-cyclohexyl-N-phenylprop-2-enamide;ethane?
The canonical SMILES for 2-cyclohexyl-N-phenylprop-2-enamide;ethane is C=C(C(=O)Nc1ccccc1)C1CCCCC1.CC.
What is the InChIKey of 2-cyclohexyl-N-phenylprop-2-enamide;ethane?
The InChIKey is ZFDKYPBPXNBEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO.C2H6/c1-12(13-8-4-2-5-9-13)15(17)16-14-10-6-3-7-11-14;1-2/h3,6-7,10-11,13H,1-2,4-5,8-9H2,(H,16,17);1-2H3.
What are the key properties of 2-cyclohexyl-N-phenylprop-2-enamide;ethane?
2-cyclohexyl-N-phenylprop-2-enamide;ethane has a molecular weight of 259.39 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-phenylprop-2-enamide;ethane is sourced from PubChem (CID 170964049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).