N-(benzylideneamino)-2,4-dihexoxybenzamide

C26H36N2O3 — CID 162378074

IUPACN-(benzylideneamino)-2,4-dihexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)NN=Cc2ccccc2)c(OCCCCCC)c1
InChIInChI=1S/C26H36N2O3/c1-3-5-7-12-18-30-23-16-17-24(25(20-23)31-19-13-8-6-4-2)26(29)28-27-21-22-14-10-9-11-15-22/h9-11,14-17,20-21H,3-8,12-13,18-19H2,1-2H3,(H,28,29)
InChIKeyKMRGRDDYBGZWBR-UHFFFAOYSA-N
MW424.59 g/mol
LogP6.37
Rot. Bonds15

About N-(benzylideneamino)-2,4-dihexoxybenzamide

N-(benzylideneamino)-2,4-dihexoxybenzamide (PubChem CID 162378074) has the molecular formula C26H36N2O3 and a molecular weight of 424.59 g/mol. Its IUPAC name is N-(benzylideneamino)-2,4-dihexoxybenzamide.

Molecular Properties

Compound NameN-(benzylideneamino)-2,4-dihexoxybenzamide
PubChem CID162378074
Molecular FormulaC26H36N2O3
Molecular Weight424.59 g/mol
Exact Mass424.27
IUPAC NameN-(benzylideneamino)-2,4-dihexoxybenzamide
SMILESCCCCCCOc1ccc(C(=O)NN=Cc2ccccc2)c(OCCCCCC)c1
InChIInChI=1S/C26H36N2O3/c1-3-5-7-12-18-30-23-16-17-24(25(20-23)31-19-13-8-6-4-2)26(29)28-27-21-22-14-10-9-11-15-22/h9-11,14-17,20-21H,3-8,12-13,18-19H2,1-2H3,(H,28,29)
InChIKeyKMRGRDDYBGZWBR-UHFFFAOYSA-N
XLogP6.37
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.59
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-chloro-N-[(Z)-(4-pentoxyphenyl)methylideneamino]benzamide
CID 7782249
N-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide
CID 46501793
N-[(4-octoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 2329565
N-[(E)-(4-hexoxyphenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
CID 6908234
2-N,5-N-bis[(Z)-benzylideneamino]-3,4-diheptoxythiophene-2,5-dicarboxamide
CID 44517027
2-N,5-N-bis[(E)-benzylideneamino]-3,4-diheptoxythiophene-2,5-dicarboxamide
CID 45484478
4-decoxy-2-hexoxybenzoic acid
CID 141156533
N-[(4-ethoxyphenyl)methylideneamino]-2-propoxybenzamide
CID 4931427
N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide
CID 5334518
3-fluoro-N-[(4-heptoxyphenyl)methylideneamino]benzamide
CID 3886255
2-[(4-fluorobenzoyl)amino]-N-[(4-heptoxyphenyl)methylideneamino]benzamide
CID 3671539
[(E)-(4-heptoxyphenyl)methylideneamino]urea
CID 14915218

Frequently Asked Questions

What is the IUPAC name of N-(benzylideneamino)-2,4-dihexoxybenzamide?
The IUPAC name of N-(benzylideneamino)-2,4-dihexoxybenzamide (CID 162378074) is N-(benzylideneamino)-2,4-dihexoxybenzamide.
What is the SMILES notation for N-(benzylideneamino)-2,4-dihexoxybenzamide?
The canonical SMILES for N-(benzylideneamino)-2,4-dihexoxybenzamide is CCCCCCOc1ccc(C(=O)NN=Cc2ccccc2)c(OCCCCCC)c1.
What is the InChIKey of N-(benzylideneamino)-2,4-dihexoxybenzamide?
The InChIKey is KMRGRDDYBGZWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O3/c1-3-5-7-12-18-30-23-16-17-24(25(20-23)31-19-13-8-6-4-2)26(29)28-27-21-22-14-10-9-11-15-22/h9-11,14-17,20-21H,3-8,12-13,18-19H2,1-2H3,(H,28,29).
What are the key properties of N-(benzylideneamino)-2,4-dihexoxybenzamide?
N-(benzylideneamino)-2,4-dihexoxybenzamide has a molecular weight of 424.59 g/mol, XLogP of 6.37, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylideneamino)-2,4-dihexoxybenzamide is sourced from PubChem (CID 162378074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).