N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide

C19H19N3O2 — CID 133169937

IUPACN-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C(\C)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H19N3O2/c1-3-12-24-18-10-8-17(9-11-18)19(23)22-21-14(2)16-6-4-15(13-20)5-7-16/h4-11H,3,12H2,1-2H3,(H,22,23)/b21-14+
InChIKeyQPJCLBZNYARSJM-KGENOOAVSA-N
MW321.38 g/mol
LogP3.50
Rot. Bonds6

About N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide

N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide (PubChem CID 133169937) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide.

Molecular Properties

Compound NameN-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide
PubChem CID133169937
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide
SMILESCCCOc1ccc(C(=O)N/N=C(\C)c2ccc(C#N)cc2)cc1
InChIInChI=1S/C19H19N3O2/c1-3-12-24-18-10-8-17(9-11-18)19(23)22-21-14(2)16-6-4-15(13-20)5-7-16/h4-11H,3,12H2,1-2H3,(H,22,23)/b21-14+
InChIKeyQPJCLBZNYARSJM-KGENOOAVSA-N
XLogP3.50
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-1-(4-chlorophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169613
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-4-propoxybenzamide
CID 99945469
N-[(E)-1-(3,4-dichlorophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169925
4-propoxy-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]benzamide
CID 133169944
2-(4-cyanophenoxy)-N-[(Z)-1-(4-propylphenyl)ethylideneamino]acetamide
CID 9316565
N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-fluorobenzamide
CID 9016760
N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-methylbenzamide
CID 9175311
2-(4-cyanophenoxy)-N-[(Z)-1-(4-ethylphenyl)ethylideneamino]acetamide
CID 9316462
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176
methyl N-[(E)-1-(4-cyanophenyl)ethylideneamino]carbamate
CID 18526403
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-4-propoxybenzamide
CID 137268526

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide?
The IUPAC name of N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide (CID 133169937) is N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide.
What is the SMILES notation for N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide?
The canonical SMILES for N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide is CCCOc1ccc(C(=O)N/N=C(\C)c2ccc(C#N)cc2)cc1.
What is the InChIKey of N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide?
The InChIKey is QPJCLBZNYARSJM-KGENOOAVSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-3-12-24-18-10-8-17(9-11-18)19(23)22-21-14(2)16-6-4-15(13-20)5-7-16/h4-11H,3,12H2,1-2H3,(H,22,23)/b21-14+.
What are the key properties of N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide?
N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide has a molecular weight of 321.38 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide is sourced from PubChem (CID 133169937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).