N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide

C18H19N3O4 — CID 135699327

IUPACN'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide
SMILESCOc1cc(/C=N/NC(=O)C(=O)NC(C)c2ccccc2)ccc1O
InChIInChI=1S/C18H19N3O4/c1-12(14-6-4-3-5-7-14)20-17(23)18(24)21-19-11-13-8-9-15(22)16(10-13)25-2/h3-12,22H,1-2H3,(H,20,23)(H,21,24)/b19-11+
InChIKeyLHSIIRVCTBSGCC-YBFXNURJSA-N
MW341.37 g/mol
LogP1.73
Rot. Bonds5

About N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide

N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide (PubChem CID 135699327) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide
PubChem CID135699327
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide
SMILESCOc1cc(/C=N/NC(=O)C(=O)NC(C)c2ccccc2)ccc1O
InChIInChI=1S/C18H19N3O4/c1-12(14-6-4-3-5-7-14)20-17(23)18(24)21-19-11-13-8-9-15(22)16(10-13)25-2/h3-12,22H,1-2H3,(H,20,23)(H,21,24)/b19-11+
InChIKeyLHSIIRVCTBSGCC-YBFXNURJSA-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_B(215)', '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)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-[1-(4-methoxyphenyl)ethyl]oxamide
CID 135411994
N'-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 8900503
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 8901068
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135679569
N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 8932047
N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 136793174
N'-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 135813876
(2R)-2-hydroxy-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 136914839
(2S)-2-[(2,2-diphenylacetyl)amino]-N-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-3-methylbutanamide
CID 136720882
N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 135827951
N'-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide
CID 3105356
N'-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 136802239

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide?
The IUPAC name of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide (CID 135699327) is N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide.
What is the SMILES notation for N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide?
The canonical SMILES for N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide is COc1cc(/C=N/NC(=O)C(=O)NC(C)c2ccccc2)ccc1O.
What is the InChIKey of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide?
The InChIKey is LHSIIRVCTBSGCC-YBFXNURJSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-12(14-6-4-3-5-7-14)20-17(23)18(24)21-19-11-13-8-9-15(22)16(10-13)25-2/h3-12,22H,1-2H3,(H,20,23)(H,21,24)/b19-11+.
What are the key properties of N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide?
N'-[(E)-(4-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'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide is sourced from PubChem (CID 135699327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).