2-[4-[(E)-2-cyclohexylethenyl]phenyl]-N,N-dimethylacetamide

C18H25NO — CID 72861129

IUPAC2-[4-[(E)-2-cyclohexylethenyl]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(/C=C/C2CCCCC2)cc1
InChIInChI=1S/C18H25NO/c1-19(2)18(20)14-17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h8-13,15H,3-7,14H2,1-2H3/b9-8+
InChIKeyZLJIJEFKYDOZRW-CMDGGOBGSA-N
MW271.40 g/mol
LogP3.91
Rot. Bonds4

About 2-[4-[(E)-2-cyclohexylethenyl]phenyl]-N,N-dimethylacetamide

2-[4-[(E)-2-cyclohexylethenyl]phenyl]-N,N-dimethylacetamide (PubChem CID 72861129) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[4-[(E)-2-cyclohexylethenyl]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(E)-2-cyclohexylethenyl]phenyl]-N,N-dimethylacetamide
PubChem CID72861129
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-[4-[(E)-2-cyclohexylethenyl]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1ccc(/C=C/C2CCCCC2)cc1
InChIInChI=1S/C18H25NO/c1-19(2)18(20)14-17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h8-13,15H,3-7,14H2,1-2H3/b9-8+
InChIKeyZLJIJEFKYDOZRW-CMDGGOBGSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-2-cyclohexylethenyl]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(E)-2-cyclohexylethenyl]phenyl]-N,N-dimethylacetamide (CID 72861129) is 2-[4-[(E)-2-cyclohexylethenyl]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(E)-2-cyclohexylethenyl]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(E)-2-cyclohexylethenyl]phenyl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1ccc(/C=C/C2CCCCC2)cc1.
What is the InChIKey of 2-[4-[(E)-2-cyclohexylethenyl]phenyl]-N,N-dimethylacetamide?
The InChIKey is ZLJIJEFKYDOZRW-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H25NO/c1-19(2)18(20)14-17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h8-13,15H,3-7,14H2,1-2H3/b9-8+.
What are the key properties of 2-[4-[(E)-2-cyclohexylethenyl]phenyl]-N,N-dimethylacetamide?
2-[4-[(E)-2-cyclohexylethenyl]phenyl]-N,N-dimethylacetamide has a molecular weight of 271.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-2-cyclohexylethenyl]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 72861129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).