N-(1-cyclohexyl-3-methyl-2-oxobutyl)pent-4-enamide

C16H27NO2 — CID 176580419

IUPACN-(1-cyclohexyl-3-methyl-2-oxobutyl)pent-4-enamide
SMILESC=CCCC(=O)NC(C(=O)C(C)C)C1CCCCC1
InChIInChI=1S/C16H27NO2/c1-4-5-11-14(18)17-15(16(19)12(2)3)13-9-7-6-8-10-13/h4,12-13,15H,1,5-11H2,2-3H3,(H,17,18)
InChIKeyLPXDWBDJVCIZGR-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.24
Rot. Bonds7

About N-(1-cyclohexyl-3-methyl-2-oxobutyl)pent-4-enamide

N-(1-cyclohexyl-3-methyl-2-oxobutyl)pent-4-enamide (PubChem CID 176580419) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N-(1-cyclohexyl-3-methyl-2-oxobutyl)pent-4-enamide.

Molecular Properties

Compound NameN-(1-cyclohexyl-3-methyl-2-oxobutyl)pent-4-enamide
PubChem CID176580419
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN-(1-cyclohexyl-3-methyl-2-oxobutyl)pent-4-enamide
SMILESC=CCCC(=O)NC(C(=O)C(C)C)C1CCCCC1
InChIInChI=1S/C16H27NO2/c1-4-5-11-14(18)17-15(16(19)12(2)3)13-9-7-6-8-10-13/h4,12-13,15H,1,5-11H2,2-3H3,(H,17,18)
InChIKeyLPXDWBDJVCIZGR-UHFFFAOYSA-N
XLogP3.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexyl-3-methyl-2-oxobutyl)pent-4-enamide?
The IUPAC name of N-(1-cyclohexyl-3-methyl-2-oxobutyl)pent-4-enamide (CID 176580419) is N-(1-cyclohexyl-3-methyl-2-oxobutyl)pent-4-enamide.
What is the SMILES notation for N-(1-cyclohexyl-3-methyl-2-oxobutyl)pent-4-enamide?
The canonical SMILES for N-(1-cyclohexyl-3-methyl-2-oxobutyl)pent-4-enamide is C=CCCC(=O)NC(C(=O)C(C)C)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexyl-3-methyl-2-oxobutyl)pent-4-enamide?
The InChIKey is LPXDWBDJVCIZGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-5-11-14(18)17-15(16(19)12(2)3)13-9-7-6-8-10-13/h4,12-13,15H,1,5-11H2,2-3H3,(H,17,18).
What are the key properties of N-(1-cyclohexyl-3-methyl-2-oxobutyl)pent-4-enamide?
N-(1-cyclohexyl-3-methyl-2-oxobutyl)pent-4-enamide has a molecular weight of 265.40 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexyl-3-methyl-2-oxobutyl)pent-4-enamide is sourced from PubChem (CID 176580419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).