N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide

C18H19N3O4 — CID 3105356

IUPACN'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide
SMILESCOc1cccc(C=NNC(=O)C(=O)NC(C)c2ccccc2)c1O
InChIInChI=1S/C18H19N3O4/c1-12(13-7-4-3-5-8-13)20-17(23)18(24)21-19-11-14-9-6-10-15(25-2)16(14)22/h3-12,22H,1-2H3,(H,20,23)(H,21,24)
InChIKeyOEHKOFZEIHMLPV-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.73
Rot. Bonds5

About N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide

N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide (PubChem CID 3105356) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide
PubChem CID3105356
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide
SMILESCOc1cccc(C=NNC(=O)C(=O)NC(C)c2ccccc2)c1O
InChIInChI=1S/C18H19N3O4/c1-12(13-7-4-3-5-8-13)20-17(23)18(24)21-19-11-14-9-6-10-15(25-2)16(14)22/h3-12,22H,1-2H3,(H,20,23)(H,21,24)
InChIKeyOEHKOFZEIHMLPV-UHFFFAOYSA-N
XLogP1.73
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', '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'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 135827951
N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 136802239
N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136766974
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide
CID 135699327
2-[(Z)-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 94847399
N'-[(Z)-[2-(2-amino-2-oxoethoxy)phenyl]methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 8990162
N'-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 8902115
N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 5146554
N'-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 8900503
N'-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 135813876
[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
N-(2-chlorophenyl)-N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 136739203

Frequently Asked Questions

What is the IUPAC name of N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide?
The IUPAC name of N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide (CID 3105356) is N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide.
What is the SMILES notation for N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide?
The canonical SMILES for N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide is COc1cccc(C=NNC(=O)C(=O)NC(C)c2ccccc2)c1O.
What is the InChIKey of N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide?
The InChIKey is OEHKOFZEIHMLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-12(13-7-4-3-5-8-13)20-17(23)18(24)21-19-11-14-9-6-10-15(25-2)16(14)22/h3-12,22H,1-2H3,(H,20,23)(H,21,24).
What are the key properties of N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide?
N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide has a molecular weight of 341.37 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide is sourced from PubChem (CID 3105356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).