N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-methylbenzamide

C18H17N3O2 — CID 9175311

IUPACN-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-methylbenzamide
SMILESC/C(=N/NC(=O)c1ccc(C)cc1)c1ccc(OCC#N)cc1
InChIInChI=1S/C18H17N3O2/c1-13-3-5-16(6-4-13)18(22)21-20-14(2)15-7-9-17(10-8-15)23-12-11-19/h3-10H,12H2,1-2H3,(H,21,22)/b20-14-
InChIKeyGCEFQGLAEXZGEJ-ZHZULCJRSA-N
MW307.35 g/mol
LogP3.05
Rot. Bonds5

About N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-methylbenzamide

N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-methylbenzamide (PubChem CID 9175311) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-methylbenzamide
PubChem CID9175311
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-methylbenzamide
SMILESC/C(=N/NC(=O)c1ccc(C)cc1)c1ccc(OCC#N)cc1
InChIInChI=1S/C18H17N3O2/c1-13-3-5-16(6-4-13)18(22)21-20-14(2)15-7-9-17(10-8-15)23-12-11-19/h3-10H,12H2,1-2H3,(H,21,22)/b20-14-
InChIKeyGCEFQGLAEXZGEJ-ZHZULCJRSA-N
XLogP3.05
TPSA74.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.05
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-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-fluorobenzamide
CID 9016760
2-chloro-N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]benzamide
CID 9016411
N-[1-(4-chlorophenyl)ethylideneamino]-4-[(4-methylphenyl)methoxy]benzamide
CID 171131786
N-[(E)-1-(4-cyanophenyl)ethylideneamino]-4-propoxybenzamide
CID 133169937
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-4-methylbenzamide
CID 136661545
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
CID 6041987
3-(4-ethoxyphenyl)-N-[1-(4-methylphenyl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 4102387
N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-2,5-dimethylbenzenesulfonamide
CID 9231636
N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
CID 6375501
N-[(E)-1-phenylethylideneamino]-4-prop-2-enoxybenzamide
CID 6232405

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-methylbenzamide?
The IUPAC name of N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-methylbenzamide (CID 9175311) is N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-methylbenzamide.
What is the SMILES notation for N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-methylbenzamide?
The canonical SMILES for N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-methylbenzamide is C/C(=N/NC(=O)c1ccc(C)cc1)c1ccc(OCC#N)cc1.
What is the InChIKey of N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-methylbenzamide?
The InChIKey is GCEFQGLAEXZGEJ-ZHZULCJRSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-13-3-5-16(6-4-13)18(22)21-20-14(2)15-7-9-17(10-8-15)23-12-11-19/h3-10H,12H2,1-2H3,(H,21,22)/b20-14-.
What are the key properties of N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-methylbenzamide?
N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-methylbenzamide has a molecular weight of 307.35 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-[4-(cyanomethoxy)phenyl]ethylideneamino]-4-methylbenzamide is sourced from PubChem (CID 9175311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).