N-[(E)-2-phenylethylideneamino]heptanamide

C15H22N2O — CID 6146657

IUPACN-[(E)-2-phenylethylideneamino]heptanamide
SMILESCCCCCCC(=O)N/N=C/Cc1ccccc1
InChIInChI=1S/C15H22N2O/c1-2-3-4-8-11-15(18)17-16-13-12-14-9-6-5-7-10-14/h5-7,9-10,13H,2-4,8,11-12H2,1H3,(H,17,18)/b16-13+
InChIKeyRLDWKXDIBOORNR-DTQAZKPQSA-N
MW246.35 g/mol
LogP3.30
Rot. Bonds8

About N-[(E)-2-phenylethylideneamino]heptanamide

N-[(E)-2-phenylethylideneamino]heptanamide (PubChem CID 6146657) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[(E)-2-phenylethylideneamino]heptanamide.

Molecular Properties

Compound NameN-[(E)-2-phenylethylideneamino]heptanamide
PubChem CID6146657
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[(E)-2-phenylethylideneamino]heptanamide
SMILESCCCCCCC(=O)N/N=C/Cc1ccccc1
InChIInChI=1S/C15H22N2O/c1-2-3-4-8-11-15(18)17-16-13-12-14-9-6-5-7-10-14/h5-7,9-10,13H,2-4,8,11-12H2,1H3,(H,17,18)/b16-13+
InChIKeyRLDWKXDIBOORNR-DTQAZKPQSA-N
XLogP3.30
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-phenylethylideneamino]heptanamide?
The IUPAC name of N-[(E)-2-phenylethylideneamino]heptanamide (CID 6146657) is N-[(E)-2-phenylethylideneamino]heptanamide.
What is the SMILES notation for N-[(E)-2-phenylethylideneamino]heptanamide?
The canonical SMILES for N-[(E)-2-phenylethylideneamino]heptanamide is CCCCCCC(=O)N/N=C/Cc1ccccc1.
What is the InChIKey of N-[(E)-2-phenylethylideneamino]heptanamide?
The InChIKey is RLDWKXDIBOORNR-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-3-4-8-11-15(18)17-16-13-12-14-9-6-5-7-10-14/h5-7,9-10,13H,2-4,8,11-12H2,1H3,(H,17,18)/b16-13+.
What are the key properties of N-[(E)-2-phenylethylideneamino]heptanamide?
N-[(E)-2-phenylethylideneamino]heptanamide has a molecular weight of 246.35 g/mol, XLogP of 3.30, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-phenylethylideneamino]heptanamide is sourced from PubChem (CID 6146657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).