N-(3,7-dimethylocta-2,6-dienyl)-2-oxopropanamide

C13H21NO2 — CID 71441349

IUPACN-(3,7-dimethylocta-2,6-dienyl)-2-oxopropanamide
SMILESCC(=O)C(=O)NCC=C(C)CCC=C(C)C
InChIInChI=1S/C13H21NO2/c1-10(2)6-5-7-11(3)8-9-14-13(16)12(4)15/h6,8H,5,7,9H2,1-4H3,(H,14,16)
InChIKeyIXMHRSPOGLARFC-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.38
Rot. Bonds6

About N-(3,7-dimethylocta-2,6-dienyl)-2-oxopropanamide

N-(3,7-dimethylocta-2,6-dienyl)-2-oxopropanamide (PubChem CID 71441349) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is N-(3,7-dimethylocta-2,6-dienyl)-2-oxopropanamide.

Molecular Properties

Compound NameN-(3,7-dimethylocta-2,6-dienyl)-2-oxopropanamide
PubChem CID71441349
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC NameN-(3,7-dimethylocta-2,6-dienyl)-2-oxopropanamide
SMILESCC(=O)C(=O)NCC=C(C)CCC=C(C)C
InChIInChI=1S/C13H21NO2/c1-10(2)6-5-7-11(3)8-9-14-13(16)12(4)15/h6,8H,5,7,9H2,1-4H3,(H,14,16)
InChIKeyIXMHRSPOGLARFC-UHFFFAOYSA-N
XLogP2.38
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethylocta-2,6-dienyl)-2-oxopropanamide?
The IUPAC name of N-(3,7-dimethylocta-2,6-dienyl)-2-oxopropanamide (CID 71441349) is N-(3,7-dimethylocta-2,6-dienyl)-2-oxopropanamide.
What is the SMILES notation for N-(3,7-dimethylocta-2,6-dienyl)-2-oxopropanamide?
The canonical SMILES for N-(3,7-dimethylocta-2,6-dienyl)-2-oxopropanamide is CC(=O)C(=O)NCC=C(C)CCC=C(C)C.
What is the InChIKey of N-(3,7-dimethylocta-2,6-dienyl)-2-oxopropanamide?
The InChIKey is IXMHRSPOGLARFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-10(2)6-5-7-11(3)8-9-14-13(16)12(4)15/h6,8H,5,7,9H2,1-4H3,(H,14,16).
What are the key properties of N-(3,7-dimethylocta-2,6-dienyl)-2-oxopropanamide?
N-(3,7-dimethylocta-2,6-dienyl)-2-oxopropanamide has a molecular weight of 223.32 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethylocta-2,6-dienyl)-2-oxopropanamide is sourced from PubChem (CID 71441349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).