4-hexoxy-N-(1-phenylpentylideneamino)benzamide

C24H32N2O2 — CID 4930589

IUPAC4-hexoxy-N-(1-phenylpentylideneamino)benzamide
SMILESCCCCCCOc1ccc(C(=O)NN=C(CCCC)c2ccccc2)cc1
InChIInChI=1S/C24H32N2O2/c1-3-5-7-11-19-28-22-17-15-21(16-18-22)24(27)26-25-23(14-6-4-2)20-12-9-8-10-13-20/h8-10,12-13,15-18H,3-7,11,14,19H2,1-2H3,(H,26,27)
InChIKeyAJLPZDVPIOSUHK-UHFFFAOYSA-N
MW380.53 g/mol
LogP5.97
Rot. Bonds12

About 4-hexoxy-N-(1-phenylpentylideneamino)benzamide

4-hexoxy-N-(1-phenylpentylideneamino)benzamide (PubChem CID 4930589) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 4-hexoxy-N-(1-phenylpentylideneamino)benzamide.

Molecular Properties

Compound Name4-hexoxy-N-(1-phenylpentylideneamino)benzamide
PubChem CID4930589
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name4-hexoxy-N-(1-phenylpentylideneamino)benzamide
SMILESCCCCCCOc1ccc(C(=O)NN=C(CCCC)c2ccccc2)cc1
InChIInChI=1S/C24H32N2O2/c1-3-5-7-11-19-28-22-17-15-21(16-18-22)24(27)26-25-23(14-6-4-2)20-12-9-8-10-13-20/h8-10,12-13,15-18H,3-7,11,14,19H2,1-2H3,(H,26,27)
InChIKeyAJLPZDVPIOSUHK-UHFFFAOYSA-N
XLogP5.97
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

4-ethoxy-N-(1-phenylpentylideneamino)benzamide
CID 5197608
N-[(Z)-1-phenylhexylideneamino]-4-phenylmethoxybenzamide
CID 6234100
N-(1-phenylhexylideneamino)-4-phenylmethoxybenzamide
CID 4933075
4-methoxy-N-[(E)-1-phenylhexylideneamino]benzamide
CID 6370113
4-decoxy-N-[(E)-[(E)-4-phenylbut-3-en-2-ylidene]amino]benzamide
CID 51064208
4-(2-methylpropoxy)-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6390070
4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide
CID 4926193
4-hexoxy-N'-[4-(2-phenoxyethoxy)benzoyl]benzohydrazide
CID 4952932
N-(1-phenylhexylideneamino)pyridine-4-carboxamide
CID 2838403
4-(butanoylamino)-N-(1-phenylpentylideneamino)benzamide
CID 3380724
N-(1-phenylpentylideneamino)octanamide
CID 4676930
4-(3-methylbutoxy)-N-(1-phenylpropylideneamino)benzamide
CID 4927529

Frequently Asked Questions

What is the IUPAC name of 4-hexoxy-N-(1-phenylpentylideneamino)benzamide?
The IUPAC name of 4-hexoxy-N-(1-phenylpentylideneamino)benzamide (CID 4930589) is 4-hexoxy-N-(1-phenylpentylideneamino)benzamide.
What is the SMILES notation for 4-hexoxy-N-(1-phenylpentylideneamino)benzamide?
The canonical SMILES for 4-hexoxy-N-(1-phenylpentylideneamino)benzamide is CCCCCCOc1ccc(C(=O)NN=C(CCCC)c2ccccc2)cc1.
What is the InChIKey of 4-hexoxy-N-(1-phenylpentylideneamino)benzamide?
The InChIKey is AJLPZDVPIOSUHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-3-5-7-11-19-28-22-17-15-21(16-18-22)24(27)26-25-23(14-6-4-2)20-12-9-8-10-13-20/h8-10,12-13,15-18H,3-7,11,14,19H2,1-2H3,(H,26,27).
What are the key properties of 4-hexoxy-N-(1-phenylpentylideneamino)benzamide?
4-hexoxy-N-(1-phenylpentylideneamino)benzamide has a molecular weight of 380.53 g/mol, XLogP of 5.97, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexoxy-N-(1-phenylpentylideneamino)benzamide is sourced from PubChem (CID 4930589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).