N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide

C17H19N3O3 — CID 136742559

IUPACN-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)N/N=C(/C)c2ccc(O)cc2)cc1
InChIInChI=1S/C17H19N3O3/c1-12(13-3-7-15(21)8-4-13)19-20-17(22)11-18-14-5-9-16(23-2)10-6-14/h3-10,18,21H,11H2,1-2H3,(H,20,22)/b19-12-
InChIKeyLRULIHWGCSBVHJ-UNOMPAQXSA-N
MW313.36 g/mol
LogP2.35
Rot. Bonds6

About N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide

N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide (PubChem CID 136742559) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
PubChem CID136742559
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)N/N=C(/C)c2ccc(O)cc2)cc1
InChIInChI=1S/C17H19N3O3/c1-12(13-3-7-15(21)8-4-13)19-20-17(22)11-18-14-5-9-16(23-2)10-6-14/h3-10,18,21H,11H2,1-2H3,(H,20,22)/b19-12-
InChIKeyLRULIHWGCSBVHJ-UNOMPAQXSA-N
XLogP2.35
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', '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-anilino-N-[(Z)-1-(4-methoxyphenyl)ethylideneamino]acetamide
CID 7784236
N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
CID 7933131
N-[1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914096
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 136899311
2-(4-ethoxyanilino)-N-[(E)-1-(4-methylphenyl)ethylideneamino]acetamide
CID 5421665
4-tert-butyl-N-[2-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 6297900
2-(4-ethoxyanilino)-N-[(E)-1-phenylethylideneamino]acetamide
CID 5421634
N-[(E)-1-(3,5-dichloro-2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide
CID 135612298
N-(1-cyclopropylethylideneamino)-2-(4-methoxyanilino)acetamide
CID 968169
2-(4-methoxyanilino)-N-[(Z)-4-methylpentan-2-ylideneamino]acetamide
CID 6167892
N-[(E)-1-(4-methoxyphenyl)ethylideneamino]butanamide
CID 17340092
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]octanediamide
CID 3411990

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide?
The IUPAC name of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide (CID 136742559) is N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide.
What is the SMILES notation for N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide?
The canonical SMILES for N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide is COc1ccc(NCC(=O)N/N=C(/C)c2ccc(O)cc2)cc1.
What is the InChIKey of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide?
The InChIKey is LRULIHWGCSBVHJ-UNOMPAQXSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-12(13-3-7-15(21)8-4-13)19-20-17(22)11-18-14-5-9-16(23-2)10-6-14/h3-10,18,21H,11H2,1-2H3,(H,20,22)/b19-12-.
What are the key properties of N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide?
N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide has a molecular weight of 313.36 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(4-hydroxyphenyl)ethylideneamino]-2-(4-methoxyanilino)acetamide is sourced from PubChem (CID 136742559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).