N-cyclohexyl-N-(3-methylbut-3-enyl)prop-2-enamide

C14H23NO — CID 90889365

IUPACN-cyclohexyl-N-(3-methylbut-3-enyl)prop-2-enamide
SMILESC=CC(=O)N(CCC(=C)C)C1CCCCC1
InChIInChI=1S/C14H23NO/c1-4-14(16)15(11-10-12(2)3)13-8-6-5-7-9-13/h4,13H,1-2,5-11H2,3H3
InChIKeyPIINWNLZHGXSRT-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.30
Rot. Bonds5

About N-cyclohexyl-N-(3-methylbut-3-enyl)prop-2-enamide

N-cyclohexyl-N-(3-methylbut-3-enyl)prop-2-enamide (PubChem CID 90889365) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is N-cyclohexyl-N-(3-methylbut-3-enyl)prop-2-enamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(3-methylbut-3-enyl)prop-2-enamide
PubChem CID90889365
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC NameN-cyclohexyl-N-(3-methylbut-3-enyl)prop-2-enamide
SMILESC=CC(=O)N(CCC(=C)C)C1CCCCC1
InChIInChI=1S/C14H23NO/c1-4-14(16)15(11-10-12(2)3)13-8-6-5-7-9-13/h4,13H,1-2,5-11H2,3H3
InChIKeyPIINWNLZHGXSRT-UHFFFAOYSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,6S)-1-acetyl-4-methyl-2,6-diprop-2-enyl-1,2,5,6-tetrahydropyridine
CID 726193
N-cyclohexyl-N-ethyl-3-fluoroprop-2-enamide
CID 67893402
n-Cyclohexyl-n-(prop-2-en-1-yl)prop-2-enamide
CID 266288
1-Cyclohexyl-4-methyl-3-methylideneazetidin-2-one
CID 12680773
N-cyclohexyl-N-ethylhex-2-enamide
CID 74510241
N-(2,6-dimethylhepta-1,6-dien-4-yl)-N-prop-2-enylacetamide
CID 101720955
(E)-1-(2-ethenylpiperidin-1-yl)but-2-en-1-one
CID 131245173
1-[(2S,6R)-4-methyl-2,6-di(prop-2-en-1-yl)-3,6-dihydropyridin-1(2H)-yl]ethanone
CID 726191
Ethanone, 1-(1,2,3,6-tetrahydro-2,6-diallyl-4-methyl-1-pyridyl)-
CID 586042
N-cyclohexyl-N-methylprop-2-enamide
CID 10080759
N-cyclohexyl-N-prop-2-enylpropanamide
CID 13061423
N-cyclohexyl-N-prop-2-enylacetamide
CID 13839472

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(3-methylbut-3-enyl)prop-2-enamide?
The IUPAC name of N-cyclohexyl-N-(3-methylbut-3-enyl)prop-2-enamide (CID 90889365) is N-cyclohexyl-N-(3-methylbut-3-enyl)prop-2-enamide.
What is the SMILES notation for N-cyclohexyl-N-(3-methylbut-3-enyl)prop-2-enamide?
The canonical SMILES for N-cyclohexyl-N-(3-methylbut-3-enyl)prop-2-enamide is C=CC(=O)N(CCC(=C)C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-(3-methylbut-3-enyl)prop-2-enamide?
The InChIKey is PIINWNLZHGXSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-14(16)15(11-10-12(2)3)13-8-6-5-7-9-13/h4,13H,1-2,5-11H2,3H3.
What are the key properties of N-cyclohexyl-N-(3-methylbut-3-enyl)prop-2-enamide?
N-cyclohexyl-N-(3-methylbut-3-enyl)prop-2-enamide has a molecular weight of 221.34 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(3-methylbut-3-enyl)prop-2-enamide is sourced from PubChem (CID 90889365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).