N-[(E)-[(2Z)-2-benzylideneheptylidene]amino]-2-(4-cyanophenoxy)acetamide

C23H25N3O2 — CID 75460595

IUPACN-[(E)-[(2Z)-2-benzylideneheptylidene]amino]-2-(4-cyanophenoxy)acetamide
SMILESCCCCCC(=C/c1ccccc1)/C=N/NC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C23H25N3O2/c1-2-3-5-10-21(15-19-8-6-4-7-9-19)17-25-26-23(27)18-28-22-13-11-20(16-24)12-14-22/h4,6-9,11-15,17H,2-3,5,10,18H2,1H3,(H,26,27)/b21-15-,25-17+
InChIKeyNWYARBAAYCNKIH-SVIHDTKBSA-N
MW375.47 g/mol
LogP4.70
Rot. Bonds10

About N-[(E)-[(2Z)-2-benzylideneheptylidene]amino]-2-(4-cyanophenoxy)acetamide

N-[(E)-[(2Z)-2-benzylideneheptylidene]amino]-2-(4-cyanophenoxy)acetamide (PubChem CID 75460595) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(E)-[(2Z)-2-benzylideneheptylidene]amino]-2-(4-cyanophenoxy)acetamide.

Molecular Properties

Compound NameN-[(E)-[(2Z)-2-benzylideneheptylidene]amino]-2-(4-cyanophenoxy)acetamide
PubChem CID75460595
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[(E)-[(2Z)-2-benzylideneheptylidene]amino]-2-(4-cyanophenoxy)acetamide
SMILESCCCCCC(=C/c1ccccc1)/C=N/NC(=O)COc1ccc(C#N)cc1
InChIInChI=1S/C23H25N3O2/c1-2-3-5-10-21(15-19-8-6-4-7-9-19)17-25-26-23(27)18-28-22-13-11-20(16-24)12-14-22/h4,6-9,11-15,17H,2-3,5,10,18H2,1H3,(H,26,27)/b21-15-,25-17+
InChIKeyNWYARBAAYCNKIH-SVIHDTKBSA-N
XLogP4.70
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.70
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-(4-cyanophenoxy)-N-[(4-hexoxyphenyl)methylideneamino]acetamide
CID 2431577
methyl N-[(E)-[(2E)-2-benzylideneheptylidene]amino]carbamate
CID 18206230
N-[(E)-benzylideneamino]-2-(4-butoxyphenoxy)acetamide
CID 5334518
N-[(E)-benzylideneamino]-2-(4-octoxyphenoxy)acetamide
CID 46501793
N-[(Z)-[(2E)-2-benzylideneheptylidene]amino]-2-(4-fluorophenyl)acetamide
CID 7428997
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide
CID 45054186
2-(4-cyanophenoxy)-N-hexylacetamide
CID 9012992
2-(4-chlorophenoxy)-N-[(Z)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6245542
N-(2-benzylideneheptylideneamino)-2-hydroxybenzamide
CID 3110234
N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-(4-methoxyphenoxy)acetamide
CID 9315920
N-[(E)-benzylideneamino]-2-(4-butylphenoxy)acetamide
CID 6876624
N-[(E)-ethylideneamino]-2-phenoxyacetamide
CID 6533905

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(2Z)-2-benzylideneheptylidene]amino]-2-(4-cyanophenoxy)acetamide?
The IUPAC name of N-[(E)-[(2Z)-2-benzylideneheptylidene]amino]-2-(4-cyanophenoxy)acetamide (CID 75460595) is N-[(E)-[(2Z)-2-benzylideneheptylidene]amino]-2-(4-cyanophenoxy)acetamide.
What is the SMILES notation for N-[(E)-[(2Z)-2-benzylideneheptylidene]amino]-2-(4-cyanophenoxy)acetamide?
The canonical SMILES for N-[(E)-[(2Z)-2-benzylideneheptylidene]amino]-2-(4-cyanophenoxy)acetamide is CCCCCC(=C/c1ccccc1)/C=N/NC(=O)COc1ccc(C#N)cc1.
What is the InChIKey of N-[(E)-[(2Z)-2-benzylideneheptylidene]amino]-2-(4-cyanophenoxy)acetamide?
The InChIKey is NWYARBAAYCNKIH-SVIHDTKBSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-2-3-5-10-21(15-19-8-6-4-7-9-19)17-25-26-23(27)18-28-22-13-11-20(16-24)12-14-22/h4,6-9,11-15,17H,2-3,5,10,18H2,1H3,(H,26,27)/b21-15-,25-17+.
What are the key properties of N-[(E)-[(2Z)-2-benzylideneheptylidene]amino]-2-(4-cyanophenoxy)acetamide?
N-[(E)-[(2Z)-2-benzylideneheptylidene]amino]-2-(4-cyanophenoxy)acetamide has a molecular weight of 375.47 g/mol, XLogP of 4.70, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(2Z)-2-benzylideneheptylidene]amino]-2-(4-cyanophenoxy)acetamide is sourced from PubChem (CID 75460595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).