N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide

C16H17N3O3 — CID 135560094

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C16H17N3O3/c1-22-14-8-6-13(7-9-14)17-11-16(21)19-18-10-12-4-2-3-5-15(12)20/h2-10,17,20H,11H2,1H3,(H,19,21)/b18-10+
InChIKeyBGUUCVBIZONQAD-VCHYOVAHSA-N
MW299.33 g/mol
LogP1.96
Rot. Bonds6

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide (PubChem CID 135560094) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
PubChem CID135560094
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
SMILESCOc1ccc(NCC(=O)N/N=C/c2ccccc2O)cc1
InChIInChI=1S/C16H17N3O3/c1-22-14-8-6-13(7-9-14)17-11-16(21)19-18-10-12-4-2-3-5-15(12)20/h2-10,17,20H,11H2,1H3,(H,19,21)/b18-10+
InChIKeyBGUUCVBIZONQAD-VCHYOVAHSA-N
XLogP1.96
TPSA82.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_C(246)', '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-(2-(3-Allyl-2-hydroxybenzylidene)hydrazino)-N-(4-methylphenyl)-2-oxoacetamide
CID 135433321
2-(4-Ethoxyanilino)-N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135411347
2-[(4-methylphenyl)amino]-N'-[(1E)-(3-phenoxyphenyl)methylene]acetohydrazide
CID 9552671
2-[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]-N-(2-methylphenyl)-2-oxoacetamide
CID 135419636
2-(4-methoxyanilino)-N-[(E)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]acetamide
CID 2349836
N-(4-Methoxyphenyl)-N-(1-{N'-[(E)-(4-methoxyphenyl)methylidene]hydrazinecarbonyl}ethyl)methanesulfonamide
CID 5335586
2-[(4-methoxyphenyl)amino]-N'-(3-methylcyclohexylidene)acetohydrazide
CID 5772081
2-[(3-Methylphenyl)amino]-N'-[(Z)-(3-phenoxyphenyl)methylidene]acetohydrazide
CID 6143546
N'-(2-methoxybenzylidene)-2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoacetohydrazide
CID 6876732
N'-{2-[(4-bromobenzyl)oxy]benzylidene}-2-(4-methoxyanilino)propanohydrazide
CID 9654062
N-[(E)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-(4-phenylpiperazin-1-yl)propanamide
CID 9671489
N'-[(1E)-(5-bromo-2-methoxyphenyl)methylene]-2-[(4-methoxyphenyl)amino]propanohydrazide
CID 46498191

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide (CID 135560094) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide is COc1ccc(NCC(=O)N/N=C/c2ccccc2O)cc1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide?
The InChIKey is BGUUCVBIZONQAD-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-22-14-8-6-13(7-9-14)17-11-16(21)19-18-10-12-4-2-3-5-15(12)20/h2-10,17,20H,11H2,1H3,(H,19,21)/b18-10+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide has a molecular weight of 299.33 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide is sourced from PubChem (CID 135560094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).