8-formylimino-N-heptylidene-2-methyloctanamide

C17H30N2O2 — CID 87995546

IUPAC8-formylimino-N-heptylidene-2-methyloctanamide
SMILESCCCCCC/C=N/C(=O)C(C)CCCCC/C=N/C=O
InChIInChI=1S/C17H30N2O2/c1-3-4-5-7-11-14-19-17(21)16(2)12-9-6-8-10-13-18-15-20/h13-16H,3-12H2,1-2H3/b18-13+,19-14+
InChIKeyKPLVSVGVRAYGMU-JIBZRZDWSA-N
MW294.44 g/mol
LogP4.37
Rot. Bonds13

About 8-formylimino-N-heptylidene-2-methyloctanamide

8-formylimino-N-heptylidene-2-methyloctanamide (PubChem CID 87995546) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 8-formylimino-N-heptylidene-2-methyloctanamide.

Molecular Properties

Compound Name8-formylimino-N-heptylidene-2-methyloctanamide
PubChem CID87995546
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name8-formylimino-N-heptylidene-2-methyloctanamide
SMILESCCCCCC/C=N/C(=O)C(C)CCCCC/C=N/C=O
InChIInChI=1S/C17H30N2O2/c1-3-4-5-7-11-14-19-17(21)16(2)12-9-6-8-10-13-18-15-20/h13-16H,3-12H2,1-2H3/b18-13+,19-14+
InChIKeyKPLVSVGVRAYGMU-JIBZRZDWSA-N
XLogP4.37
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-formylimino-N-heptylidene-2-methyloctanamide?
The IUPAC name of 8-formylimino-N-heptylidene-2-methyloctanamide (CID 87995546) is 8-formylimino-N-heptylidene-2-methyloctanamide.
What is the SMILES notation for 8-formylimino-N-heptylidene-2-methyloctanamide?
The canonical SMILES for 8-formylimino-N-heptylidene-2-methyloctanamide is CCCCCC/C=N/C(=O)C(C)CCCCC/C=N/C=O.
What is the InChIKey of 8-formylimino-N-heptylidene-2-methyloctanamide?
The InChIKey is KPLVSVGVRAYGMU-JIBZRZDWSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-3-4-5-7-11-14-19-17(21)16(2)12-9-6-8-10-13-18-15-20/h13-16H,3-12H2,1-2H3/b18-13+,19-14+.
What are the key properties of 8-formylimino-N-heptylidene-2-methyloctanamide?
8-formylimino-N-heptylidene-2-methyloctanamide has a molecular weight of 294.44 g/mol, XLogP of 4.37, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-formylimino-N-heptylidene-2-methyloctanamide is sourced from PubChem (CID 87995546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).