N-cyclohexyl-N-methyl-2-prop-1-enylhexa-2,4-dienamide

C16H25NO — CID 123649669

IUPACN-cyclohexyl-N-methyl-2-prop-1-enylhexa-2,4-dienamide
SMILESCC=CC=C(C=CC)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C16H25NO/c1-4-6-11-14(10-5-2)16(18)17(3)15-12-8-7-9-13-15/h4-6,10-11,15H,7-9,12-13H2,1-3H3
InChIKeyBMZWTXJPYBISGY-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.86
Rot. Bonds4

About N-cyclohexyl-N-methyl-2-prop-1-enylhexa-2,4-dienamide

N-cyclohexyl-N-methyl-2-prop-1-enylhexa-2,4-dienamide (PubChem CID 123649669) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-2-prop-1-enylhexa-2,4-dienamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-2-prop-1-enylhexa-2,4-dienamide
PubChem CID123649669
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-cyclohexyl-N-methyl-2-prop-1-enylhexa-2,4-dienamide
SMILESCC=CC=C(C=CC)C(=O)N(C)C1CCCCC1
InChIInChI=1S/C16H25NO/c1-4-6-11-14(10-5-2)16(18)17(3)15-12-8-7-9-13-15/h4-6,10-11,15H,7-9,12-13H2,1-3H3
InChIKeyBMZWTXJPYBISGY-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E,8Z)-1-piperidin-1-yltetradeca-2,4,8-trien-1-one
CID 11173777
(2E,4E)-5,9-dimethyl-1-piperidin-1-yldeca-2,4,8-trien-1-one
CID 44561415
(2E,4E)-5,9-dimethyl-N,N-di(propan-2-yl)deca-2,4,8-trienamide
CID 44561471
2(1H)-Pyridinone, 1-cyclohexyl-3,4,5,6-tetramethyl-
CID 592036
(Z)-2-[(E)-1-fluoroprop-1-enyl]-3-methyl-1-[(2S)-2-methylpiperidin-1-yl]pent-2-en-1-one
CID 129084795
1-Heptyl-5-methylpyridin-2-one
CID 84314475
N-cyclohexyl-N-ethylhex-2-enamide
CID 74510241
1-Piperidin-1-yltetradeca-2,4,8-trien-1-one
CID 85424382
7-Prop-1-en-2-yl-1,6,9,9a-tetrahydroquinolizin-4-one
CID 11389879
1,3-cyclohexadiene-1-carboxylic acid N,N-diethylamide
CID 19699028
3-Ethyl-1-hexan-2-yl-5-methylpyridin-2-one
CID 20720631
4-Ethyl-1-piperidin-1-ylhexa-2,4-dien-1-one
CID 53926716

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-2-prop-1-enylhexa-2,4-dienamide?
The IUPAC name of N-cyclohexyl-N-methyl-2-prop-1-enylhexa-2,4-dienamide (CID 123649669) is N-cyclohexyl-N-methyl-2-prop-1-enylhexa-2,4-dienamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-2-prop-1-enylhexa-2,4-dienamide?
The canonical SMILES for N-cyclohexyl-N-methyl-2-prop-1-enylhexa-2,4-dienamide is CC=CC=C(C=CC)C(=O)N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-2-prop-1-enylhexa-2,4-dienamide?
The InChIKey is BMZWTXJPYBISGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-4-6-11-14(10-5-2)16(18)17(3)15-12-8-7-9-13-15/h4-6,10-11,15H,7-9,12-13H2,1-3H3.
What are the key properties of N-cyclohexyl-N-methyl-2-prop-1-enylhexa-2,4-dienamide?
N-cyclohexyl-N-methyl-2-prop-1-enylhexa-2,4-dienamide has a molecular weight of 247.38 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-2-prop-1-enylhexa-2,4-dienamide is sourced from PubChem (CID 123649669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).