N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide

C17H19N3O2 — CID 6375501

IUPACN-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C(/C)c2ccc(N)cc2)cc1
InChIInChI=1S/C17H19N3O2/c1-3-22-16-10-6-14(7-11-16)17(21)20-19-12(2)13-4-8-15(18)9-5-13/h4-11H,3,18H2,1-2H3,(H,20,21)/b19-12-
InChIKeyMDSJGZYVQGOMLY-UNOMPAQXSA-N
MW297.36 g/mol
LogP2.82
Rot. Bonds5

About N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide

N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide (PubChem CID 6375501) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
PubChem CID6375501
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)N/N=C(/C)c2ccc(N)cc2)cc1
InChIInChI=1S/C17H19N3O2/c1-3-22-16-10-6-14(7-11-16)17(21)20-19-12(2)13-4-8-15(18)9-5-13/h4-11H,3,18H2,1-2H3,(H,20,21)/b19-12-
InChIKeyMDSJGZYVQGOMLY-UNOMPAQXSA-N
XLogP2.82
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_anil(14)', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 912000
N-[1-(4-ethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3617176
N-[1-(4-aminophenyl)ethylideneamino]-4-prop-2-enoxybenzamide
CID 4925774
4-amino-N-[(Z)-1-[4-[2-(diethylamino)-2-oxoethoxy]phenyl]ethylideneamino]benzamide
CID 7955371
1-N,4-N-bis[1-(4-aminophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 4998105
2-[4-[(Z)-N-[(4-ethoxybenzoyl)amino]-C-methylcarbonimidoyl]phenoxy]acetate
CID 9214754
N-[(E)-1-(4-aminophenyl)ethylideneamino]-4-(3-methylbutoxy)benzamide
CID 6233039
2-amino-N-[1-(4-ethoxyphenyl)ethylideneamino]benzamide
CID 689617
4-ethoxy-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
CID 3516509
N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]-3,5-dimethoxybenzamide
CID 9461201
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide
CID 6180657
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-methylbenzamide
CID 6041987

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide?
The IUPAC name of N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide (CID 6375501) is N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide.
What is the SMILES notation for N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide?
The canonical SMILES for N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide is CCOc1ccc(C(=O)N/N=C(/C)c2ccc(N)cc2)cc1.
What is the InChIKey of N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide?
The InChIKey is MDSJGZYVQGOMLY-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-3-22-16-10-6-14(7-11-16)17(21)20-19-12(2)13-4-8-15(18)9-5-13/h4-11H,3,18H2,1-2H3,(H,20,21)/b19-12-.
What are the key properties of N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide?
N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide has a molecular weight of 297.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-aminophenyl)ethylideneamino]-4-ethoxybenzamide is sourced from PubChem (CID 6375501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).