N-[(Z)-1-phenylhexylideneamino]-4-phenylmethoxybenzamide

C26H28N2O2 — CID 6234100

IUPACN-[(Z)-1-phenylhexylideneamino]-4-phenylmethoxybenzamide
SMILESCCCCC/C(=N/NC(=O)c1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C26H28N2O2/c1-2-3-6-15-25(22-13-9-5-10-14-22)27-28-26(29)23-16-18-24(19-17-23)30-20-21-11-7-4-8-12-21/h4-5,7-14,16-19H,2-3,6,15,20H2,1H3,(H,28,29)/b27-25-
InChIKeyBRDLBACFNBCTQV-RFBIWTDZSA-N
MW400.52 g/mol
LogP5.98
Rot. Bonds10

About N-[(Z)-1-phenylhexylideneamino]-4-phenylmethoxybenzamide

N-[(Z)-1-phenylhexylideneamino]-4-phenylmethoxybenzamide (PubChem CID 6234100) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is N-[(Z)-1-phenylhexylideneamino]-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-phenylhexylideneamino]-4-phenylmethoxybenzamide
PubChem CID6234100
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC NameN-[(Z)-1-phenylhexylideneamino]-4-phenylmethoxybenzamide
SMILESCCCCC/C(=N/NC(=O)c1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C26H28N2O2/c1-2-3-6-15-25(22-13-9-5-10-14-22)27-28-26(29)23-16-18-24(19-17-23)30-20-21-11-7-4-8-12-21/h4-5,7-14,16-19H,2-3,6,15,20H2,1H3,(H,28,29)/b27-25-
InChIKeyBRDLBACFNBCTQV-RFBIWTDZSA-N
XLogP5.98
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.98
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

N-(1-phenylhexylideneamino)-4-phenylmethoxybenzamide
CID 4933075
4-hexoxy-N-(1-phenylpentylideneamino)benzamide
CID 4930589
4-ethoxy-N-(1-phenylpentylideneamino)benzamide
CID 5197608
4-methoxy-N-[(E)-1-phenylhexylideneamino]benzamide
CID 6370113
N-[(E)-heptan-3-ylideneamino]-4-phenylmethoxybenzamide
CID 54784967
N-[1-(4-hydroxyphenyl)propylideneamino]-4-phenylmethoxybenzamide
CID 4933037
N-(1-phenylhexylideneamino)pyridine-4-carboxamide
CID 2838403
4-(pentanoylamino)-N-(1-phenylhexylideneamino)benzamide
CID 4926193
4-(2-methylpropoxy)-N-[(E)-1-phenylbutylideneamino]benzamide
CID 6390070
N-(pentan-3-ylideneamino)-4-(phenoxymethyl)benzamide
CID 8518193
N-[1-(2-hydroxyphenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933076
N-[1-(4-bromophenyl)ethylideneamino]-4-phenylmethoxybenzamide
CID 4933030

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-phenylhexylideneamino]-4-phenylmethoxybenzamide?
The IUPAC name of N-[(Z)-1-phenylhexylideneamino]-4-phenylmethoxybenzamide (CID 6234100) is N-[(Z)-1-phenylhexylideneamino]-4-phenylmethoxybenzamide.
What is the SMILES notation for N-[(Z)-1-phenylhexylideneamino]-4-phenylmethoxybenzamide?
The canonical SMILES for N-[(Z)-1-phenylhexylideneamino]-4-phenylmethoxybenzamide is CCCCC/C(=N/NC(=O)c1ccc(OCc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-[(Z)-1-phenylhexylideneamino]-4-phenylmethoxybenzamide?
The InChIKey is BRDLBACFNBCTQV-RFBIWTDZSA-N. The full InChI is InChI=1S/C26H28N2O2/c1-2-3-6-15-25(22-13-9-5-10-14-22)27-28-26(29)23-16-18-24(19-17-23)30-20-21-11-7-4-8-12-21/h4-5,7-14,16-19H,2-3,6,15,20H2,1H3,(H,28,29)/b27-25-.
What are the key properties of N-[(Z)-1-phenylhexylideneamino]-4-phenylmethoxybenzamide?
N-[(Z)-1-phenylhexylideneamino]-4-phenylmethoxybenzamide has a molecular weight of 400.52 g/mol, XLogP of 5.98, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-phenylhexylideneamino]-4-phenylmethoxybenzamide is sourced from PubChem (CID 6234100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).