N-methyl-N-octa-2,4,6-trien-4-ylcyclohexanecarboxamide

C16H25NO — CID 123298661

IUPACN-methyl-N-octa-2,4,6-trien-4-ylcyclohexanecarboxamide
SMILESCC=CC=C(C=CC)N(C)C(=O)C1CCCCC1
InChIInChI=1S/C16H25NO/c1-4-6-13-15(10-5-2)17(3)16(18)14-11-8-7-9-12-14/h4-6,10,13-14H,7-9,11-12H2,1-3H3
InChIKeyKVZZVUSXLACGSR-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.06
Rot. Bonds4

About N-methyl-N-octa-2,4,6-trien-4-ylcyclohexanecarboxamide

N-methyl-N-octa-2,4,6-trien-4-ylcyclohexanecarboxamide (PubChem CID 123298661) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-methyl-N-octa-2,4,6-trien-4-ylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-methyl-N-octa-2,4,6-trien-4-ylcyclohexanecarboxamide
PubChem CID123298661
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-methyl-N-octa-2,4,6-trien-4-ylcyclohexanecarboxamide
SMILESCC=CC=C(C=CC)N(C)C(=O)C1CCCCC1
InChIInChI=1S/C16H25NO/c1-4-6-13-15(10-5-2)17(3)16(18)14-11-8-7-9-12-14/h4-6,10,13-14H,7-9,11-12H2,1-3H3
InChIKeyKVZZVUSXLACGSR-UHFFFAOYSA-N
XLogP4.06
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-octa-2,4,6-trien-4-ylcyclohexanecarboxamide?
The IUPAC name of N-methyl-N-octa-2,4,6-trien-4-ylcyclohexanecarboxamide (CID 123298661) is N-methyl-N-octa-2,4,6-trien-4-ylcyclohexanecarboxamide.
What is the SMILES notation for N-methyl-N-octa-2,4,6-trien-4-ylcyclohexanecarboxamide?
The canonical SMILES for N-methyl-N-octa-2,4,6-trien-4-ylcyclohexanecarboxamide is CC=CC=C(C=CC)N(C)C(=O)C1CCCCC1.
What is the InChIKey of N-methyl-N-octa-2,4,6-trien-4-ylcyclohexanecarboxamide?
The InChIKey is KVZZVUSXLACGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-6-13-15(10-5-2)17(3)16(18)14-11-8-7-9-12-14/h4-6,10,13-14H,7-9,11-12H2,1-3H3.
What are the key properties of N-methyl-N-octa-2,4,6-trien-4-ylcyclohexanecarboxamide?
N-methyl-N-octa-2,4,6-trien-4-ylcyclohexanecarboxamide has a molecular weight of 247.38 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-octa-2,4,6-trien-4-ylcyclohexanecarboxamide is sourced from PubChem (CID 123298661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).