6-amino-N-[(2Z)-2-benzylideneheptyl]-N-(2-methylpropyl)hexanamide

C24H40N2O — CID 6247566

IUPAC6-amino-N-[(2Z)-2-benzylideneheptyl]-N-(2-methylpropyl)hexanamide
SMILESCCCCC/C(=C/c1ccccc1)CN(CC(C)C)C(=O)CCCCCN
InChIInChI=1S/C24H40N2O/c1-4-5-8-15-23(18-22-13-9-6-10-14-22)20-26(19-21(2)3)24(27)16-11-7-12-17-25/h6,9-10,13-14,18,21H,4-5,7-8,11-12,15-17,19-20,25H2,1-3H3/b23-18-
InChIKeyFFGBIVURFGGBJY-NKFKGCMQSA-N
MW372.60 g/mol
LogP5.65
Rot. Bonds14

About 6-amino-N-[(2Z)-2-benzylideneheptyl]-N-(2-methylpropyl)hexanamide

6-amino-N-[(2Z)-2-benzylideneheptyl]-N-(2-methylpropyl)hexanamide (PubChem CID 6247566) has the molecular formula C24H40N2O and a molecular weight of 372.60 g/mol. Its IUPAC name is 6-amino-N-[(2Z)-2-benzylideneheptyl]-N-(2-methylpropyl)hexanamide.

Molecular Properties

Compound Name6-amino-N-[(2Z)-2-benzylideneheptyl]-N-(2-methylpropyl)hexanamide
PubChem CID6247566
Molecular FormulaC24H40N2O
Molecular Weight372.60 g/mol
Exact Mass372.31
IUPAC Name6-amino-N-[(2Z)-2-benzylideneheptyl]-N-(2-methylpropyl)hexanamide
SMILESCCCCC/C(=C/c1ccccc1)CN(CC(C)C)C(=O)CCCCCN
InChIInChI=1S/C24H40N2O/c1-4-5-8-15-23(18-22-13-9-6-10-14-22)20-26(19-21(2)3)24(27)16-11-7-12-17-25/h6,9-10,13-14,18,21H,4-5,7-8,11-12,15-17,19-20,25H2,1-3H3/b23-18-
InChIKeyFFGBIVURFGGBJY-NKFKGCMQSA-N
XLogP5.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.60
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[(2Z)-2-benzylideneheptyl]-N-(2-methylpropyl)hexanamide?
The IUPAC name of 6-amino-N-[(2Z)-2-benzylideneheptyl]-N-(2-methylpropyl)hexanamide (CID 6247566) is 6-amino-N-[(2Z)-2-benzylideneheptyl]-N-(2-methylpropyl)hexanamide.
What is the SMILES notation for 6-amino-N-[(2Z)-2-benzylideneheptyl]-N-(2-methylpropyl)hexanamide?
The canonical SMILES for 6-amino-N-[(2Z)-2-benzylideneheptyl]-N-(2-methylpropyl)hexanamide is CCCCC/C(=C/c1ccccc1)CN(CC(C)C)C(=O)CCCCCN.
What is the InChIKey of 6-amino-N-[(2Z)-2-benzylideneheptyl]-N-(2-methylpropyl)hexanamide?
The InChIKey is FFGBIVURFGGBJY-NKFKGCMQSA-N. The full InChI is InChI=1S/C24H40N2O/c1-4-5-8-15-23(18-22-13-9-6-10-14-22)20-26(19-21(2)3)24(27)16-11-7-12-17-25/h6,9-10,13-14,18,21H,4-5,7-8,11-12,15-17,19-20,25H2,1-3H3/b23-18-.
What are the key properties of 6-amino-N-[(2Z)-2-benzylideneheptyl]-N-(2-methylpropyl)hexanamide?
6-amino-N-[(2Z)-2-benzylideneheptyl]-N-(2-methylpropyl)hexanamide has a molecular weight of 372.60 g/mol, XLogP of 5.65, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[(2Z)-2-benzylideneheptyl]-N-(2-methylpropyl)hexanamide is sourced from PubChem (CID 6247566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).