(Z)-N-cyclohexyl-2,3-diphenylprop-2-enamide

C21H23NO — CID 6260559

IUPAC(Z)-N-cyclohexyl-2,3-diphenylprop-2-enamide
SMILESO=C(NC1CCCCC1)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO/c23-21(22-19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)16-17-10-4-1-5-11-17/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,22,23)/b20-16-
InChIKeyKXGDTWONTACMBC-SILNSSARSA-N
MW305.42 g/mol
LogP4.68
Rot. Bonds4

About (Z)-N-cyclohexyl-2,3-diphenylprop-2-enamide

(Z)-N-cyclohexyl-2,3-diphenylprop-2-enamide (PubChem CID 6260559) has the molecular formula C21H23NO and a molecular weight of 305.42 g/mol. Its IUPAC name is (Z)-N-cyclohexyl-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound Name(Z)-N-cyclohexyl-2,3-diphenylprop-2-enamide
PubChem CID6260559
Molecular FormulaC21H23NO
Molecular Weight305.42 g/mol
Exact Mass305.18
IUPAC Name(Z)-N-cyclohexyl-2,3-diphenylprop-2-enamide
SMILESO=C(NC1CCCCC1)/C(=C\c1ccccc1)c1ccccc1
InChIInChI=1S/C21H23NO/c23-21(22-19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)16-17-10-4-1-5-11-17/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,22,23)/b20-16-
InChIKeyKXGDTWONTACMBC-SILNSSARSA-N
XLogP4.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-cyclohexyl-2,3-diphenylprop-2-enamide?
The IUPAC name of (Z)-N-cyclohexyl-2,3-diphenylprop-2-enamide (CID 6260559) is (Z)-N-cyclohexyl-2,3-diphenylprop-2-enamide.
What is the SMILES notation for (Z)-N-cyclohexyl-2,3-diphenylprop-2-enamide?
The canonical SMILES for (Z)-N-cyclohexyl-2,3-diphenylprop-2-enamide is O=C(NC1CCCCC1)/C(=C\c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-N-cyclohexyl-2,3-diphenylprop-2-enamide?
The InChIKey is KXGDTWONTACMBC-SILNSSARSA-N. The full InChI is InChI=1S/C21H23NO/c23-21(22-19-14-8-3-9-15-19)20(18-12-6-2-7-13-18)16-17-10-4-1-5-11-17/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,22,23)/b20-16-.
What are the key properties of (Z)-N-cyclohexyl-2,3-diphenylprop-2-enamide?
(Z)-N-cyclohexyl-2,3-diphenylprop-2-enamide has a molecular weight of 305.42 g/mol, XLogP of 4.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-cyclohexyl-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 6260559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).