2,2-dimethyl-N-[(E)-3-[(1S)-2-oxo-1-phenylcyclohexyl]prop-1-enyl]-N-phenylpropanamide

C26H31NO2 — CID 132516373

IUPAC2,2-dimethyl-N-[(E)-3-[(1S)-2-oxo-1-phenylcyclohexyl]prop-1-enyl]-N-phenylpropanamide
SMILESCC(C)(C)C(=O)N(/C=C/C[C@]1(c2ccccc2)CCCCC1=O)c1ccccc1
InChIInChI=1S/C26H31NO2/c1-25(2,3)24(29)27(22-15-8-5-9-16-22)20-12-19-26(18-11-10-17-23(26)28)21-13-6-4-7-14-21/h4-9,12-16,20H,10-11,17-19H2,1-3H3/b20-12+/t26-/m0/s1
InChIKeyZVWVLCARGTXHRW-CZBISXOWSA-N
MW389.54 g/mol
LogP6.05
Rot. Bonds5

About 2,2-dimethyl-N-[(E)-3-[(1S)-2-oxo-1-phenylcyclohexyl]prop-1-enyl]-N-phenylpropanamide

2,2-dimethyl-N-[(E)-3-[(1S)-2-oxo-1-phenylcyclohexyl]prop-1-enyl]-N-phenylpropanamide (PubChem CID 132516373) has the molecular formula C26H31NO2 and a molecular weight of 389.54 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(E)-3-[(1S)-2-oxo-1-phenylcyclohexyl]prop-1-enyl]-N-phenylpropanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(E)-3-[(1S)-2-oxo-1-phenylcyclohexyl]prop-1-enyl]-N-phenylpropanamide
PubChem CID132516373
Molecular FormulaC26H31NO2
Molecular Weight389.54 g/mol
Exact Mass389.24
IUPAC Name2,2-dimethyl-N-[(E)-3-[(1S)-2-oxo-1-phenylcyclohexyl]prop-1-enyl]-N-phenylpropanamide
SMILESCC(C)(C)C(=O)N(/C=C/C[C@]1(c2ccccc2)CCCCC1=O)c1ccccc1
InChIInChI=1S/C26H31NO2/c1-25(2,3)24(29)27(22-15-8-5-9-16-22)20-12-19-26(18-11-10-17-23(26)28)21-13-6-4-7-14-21/h4-9,12-16,20H,10-11,17-19H2,1-3H3/b20-12+/t26-/m0/s1
InChIKeyZVWVLCARGTXHRW-CZBISXOWSA-N
XLogP6.05
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.54
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(E)-3-[(1S)-2-oxo-1-phenylcyclohexyl]prop-1-enyl]-N-phenylpropanamide?
The IUPAC name of 2,2-dimethyl-N-[(E)-3-[(1S)-2-oxo-1-phenylcyclohexyl]prop-1-enyl]-N-phenylpropanamide (CID 132516373) is 2,2-dimethyl-N-[(E)-3-[(1S)-2-oxo-1-phenylcyclohexyl]prop-1-enyl]-N-phenylpropanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(E)-3-[(1S)-2-oxo-1-phenylcyclohexyl]prop-1-enyl]-N-phenylpropanamide?
The canonical SMILES for 2,2-dimethyl-N-[(E)-3-[(1S)-2-oxo-1-phenylcyclohexyl]prop-1-enyl]-N-phenylpropanamide is CC(C)(C)C(=O)N(/C=C/C[C@]1(c2ccccc2)CCCCC1=O)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-[(E)-3-[(1S)-2-oxo-1-phenylcyclohexyl]prop-1-enyl]-N-phenylpropanamide?
The InChIKey is ZVWVLCARGTXHRW-CZBISXOWSA-N. The full InChI is InChI=1S/C26H31NO2/c1-25(2,3)24(29)27(22-15-8-5-9-16-22)20-12-19-26(18-11-10-17-23(26)28)21-13-6-4-7-14-21/h4-9,12-16,20H,10-11,17-19H2,1-3H3/b20-12+/t26-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(E)-3-[(1S)-2-oxo-1-phenylcyclohexyl]prop-1-enyl]-N-phenylpropanamide?
2,2-dimethyl-N-[(E)-3-[(1S)-2-oxo-1-phenylcyclohexyl]prop-1-enyl]-N-phenylpropanamide has a molecular weight of 389.54 g/mol, XLogP of 6.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(E)-3-[(1S)-2-oxo-1-phenylcyclohexyl]prop-1-enyl]-N-phenylpropanamide is sourced from PubChem (CID 132516373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).