4-chloro-N-(4-cyclohex-2-en-1-yl-2-methyl-1-oxobutan-2-yl)-2-methoxybutanamide

C16H26ClNO3 — CID 143139714

IUPAC4-chloro-N-(4-cyclohex-2-en-1-yl-2-methyl-1-oxobutan-2-yl)-2-methoxybutanamide
SMILESCOC(CCCl)C(=O)NC(C)(C=O)CCC1C=CCCC1
InChIInChI=1S/C16H26ClNO3/c1-16(12-19,10-8-13-6-4-3-5-7-13)18-15(20)14(21-2)9-11-17/h4,6,12-14H,3,5,7-11H2,1-2H3,(H,18,20)
InChIKeyHYSNWHBZFCRFCI-UHFFFAOYSA-N
MW315.84 g/mol
LogP2.84
Rot. Bonds9

About 4-chloro-N-(4-cyclohex-2-en-1-yl-2-methyl-1-oxobutan-2-yl)-2-methoxybutanamide

4-chloro-N-(4-cyclohex-2-en-1-yl-2-methyl-1-oxobutan-2-yl)-2-methoxybutanamide (PubChem CID 143139714) has the molecular formula C16H26ClNO3 and a molecular weight of 315.84 g/mol. Its IUPAC name is 4-chloro-N-(4-cyclohex-2-en-1-yl-2-methyl-1-oxobutan-2-yl)-2-methoxybutanamide.

Molecular Properties

Compound Name4-chloro-N-(4-cyclohex-2-en-1-yl-2-methyl-1-oxobutan-2-yl)-2-methoxybutanamide
PubChem CID143139714
Molecular FormulaC16H26ClNO3
Molecular Weight315.84 g/mol
Exact Mass315.16
IUPAC Name4-chloro-N-(4-cyclohex-2-en-1-yl-2-methyl-1-oxobutan-2-yl)-2-methoxybutanamide
SMILESCOC(CCCl)C(=O)NC(C)(C=O)CCC1C=CCCC1
InChIInChI=1S/C16H26ClNO3/c1-16(12-19,10-8-13-6-4-3-5-7-13)18-15(20)14(21-2)9-11-17/h4,6,12-14H,3,5,7-11H2,1-2H3,(H,18,20)
InChIKeyHYSNWHBZFCRFCI-UHFFFAOYSA-N
XLogP2.84
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(4-cyclohex-2-en-1-yl-2-methyl-1-oxobutan-2-yl)-2-methoxybutanamide;ethane
CID 143139713
(3S,6S)-6-(2-chloroethyl)-3-[[(1R)-cyclohex-2-en-1-yl]methyl]-3-methylmorpholine-2,5-dione
CID 143334119

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-cyclohex-2-en-1-yl-2-methyl-1-oxobutan-2-yl)-2-methoxybutanamide?
The IUPAC name of 4-chloro-N-(4-cyclohex-2-en-1-yl-2-methyl-1-oxobutan-2-yl)-2-methoxybutanamide (CID 143139714) is 4-chloro-N-(4-cyclohex-2-en-1-yl-2-methyl-1-oxobutan-2-yl)-2-methoxybutanamide.
What is the SMILES notation for 4-chloro-N-(4-cyclohex-2-en-1-yl-2-methyl-1-oxobutan-2-yl)-2-methoxybutanamide?
The canonical SMILES for 4-chloro-N-(4-cyclohex-2-en-1-yl-2-methyl-1-oxobutan-2-yl)-2-methoxybutanamide is COC(CCCl)C(=O)NC(C)(C=O)CCC1C=CCCC1.
What is the InChIKey of 4-chloro-N-(4-cyclohex-2-en-1-yl-2-methyl-1-oxobutan-2-yl)-2-methoxybutanamide?
The InChIKey is HYSNWHBZFCRFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClNO3/c1-16(12-19,10-8-13-6-4-3-5-7-13)18-15(20)14(21-2)9-11-17/h4,6,12-14H,3,5,7-11H2,1-2H3,(H,18,20).
What are the key properties of 4-chloro-N-(4-cyclohex-2-en-1-yl-2-methyl-1-oxobutan-2-yl)-2-methoxybutanamide?
4-chloro-N-(4-cyclohex-2-en-1-yl-2-methyl-1-oxobutan-2-yl)-2-methoxybutanamide has a molecular weight of 315.84 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-cyclohex-2-en-1-yl-2-methyl-1-oxobutan-2-yl)-2-methoxybutanamide is sourced from PubChem (CID 143139714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).