N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide

C17H17N3O3 — CID 136793174

IUPACN'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
SMILESC[C@H](NC(=O)C(=O)N/N=C\c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C17H17N3O3/c1-12(14-5-3-2-4-6-14)19-16(22)17(23)20-18-11-13-7-9-15(21)10-8-13/h2-12,21H,1H3,(H,19,22)(H,20,23)/b18-11-/t12-/m0/s1
InChIKeyXIFVJQJCMJJJRA-SJWFJVLYSA-N
MW311.34 g/mol
LogP1.72
Rot. Bonds4

About N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide

N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide (PubChem CID 136793174) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide.

Molecular Properties

Compound NameN'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
PubChem CID136793174
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
SMILESC[C@H](NC(=O)C(=O)N/N=C\c1ccc(O)cc1)c1ccccc1
InChIInChI=1S/C17H17N3O3/c1-12(14-5-3-2-4-6-14)19-16(22)17(23)20-18-11-13-7-9-15(21)10-8-13/h2-12,21H,1H3,(H,19,22)(H,20,23)/b18-11-/t12-/m0/s1
InChIKeyXIFVJQJCMJJJRA-SJWFJVLYSA-N
XLogP1.72
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'-[(4-fluorophenyl)methylideneamino]-N-(1-phenylethyl)oxamide
CID 3105349
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(1-phenylethyl)oxamide
CID 135699327
2-[4-[(Z)-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 8989780
N'-[(Z)-[4-[2-oxo-2-(propan-2-ylamino)ethoxy]phenyl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 94832391
N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 8932047
N'-[(Z)-(3-bromo-4-methoxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 8900503
2-[(Z)-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 94847399
N'-[(Z)-anthracen-9-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 7038993
N'-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 135821297
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 8901068
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-methyloxamide
CID 135821314
N-[1-(4-methoxyphenyl)ethyl]-N'-[(4-methylphenyl)methylideneamino]oxamide
CID 3250495

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide?
The IUPAC name of N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide (CID 136793174) is N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide.
What is the SMILES notation for N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide?
The canonical SMILES for N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide is C[C@H](NC(=O)C(=O)N/N=C\c1ccc(O)cc1)c1ccccc1.
What is the InChIKey of N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide?
The InChIKey is XIFVJQJCMJJJRA-SJWFJVLYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-12(14-5-3-2-4-6-14)19-16(22)17(23)20-18-11-13-7-9-15(21)10-8-13/h2-12,21H,1H3,(H,19,22)(H,20,23)/b18-11-/t12-/m0/s1.
What are the key properties of N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide?
N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide has a molecular weight of 311.34 g/mol, XLogP of 1.72, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(4-hydroxyphenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide is sourced from PubChem (CID 136793174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).