N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-(1-phenylethyl)oxamide

C17H16N4O5 — CID 135683234

IUPACN'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1
InChIInChI=1S/C17H16N4O5/c1-11(12-5-3-2-4-6-12)19-16(23)17(24)20-18-10-13-9-14(21(25)26)7-8-15(13)22/h2-11,22H,1H3,(H,19,23)(H,20,24)/b18-10+
InChIKeyPIJRMMKIZJPCGS-VCHYOVAHSA-N
MW356.34 g/mol
LogP1.63
Rot. Bonds5

About N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-(1-phenylethyl)oxamide

N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-(1-phenylethyl)oxamide (PubChem CID 135683234) has the molecular formula C17H16N4O5 and a molecular weight of 356.34 g/mol. Its IUPAC name is N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-(1-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-(1-phenylethyl)oxamide
PubChem CID135683234
Molecular FormulaC17H16N4O5
Molecular Weight356.34 g/mol
Exact Mass356.11
IUPAC NameN'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-(1-phenylethyl)oxamide
SMILESCC(NC(=O)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1
InChIInChI=1S/C17H16N4O5/c1-11(12-5-3-2-4-6-12)19-16(23)17(24)20-18-10-13-9-14(21(25)26)7-8-15(13)22/h2-11,22H,1H3,(H,19,23)(H,20,24)/b18-10+
InChIKeyPIJRMMKIZJPCGS-VCHYOVAHSA-N
XLogP1.63
TPSA133.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-(1-phenylethyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(E)-(5-chloro-2-hydroxyphenyl)methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 135821297
N'-[(2-hydroxy-5-nitrophenyl)methylideneamino]-N-phenyloxamide
CID 3817140
(2S)-N-[(Z)-(2-hydroxy-5-nitrophenyl)methylideneamino]-2-phenylsulfanylpropanamide
CID 135619152
N-[(2S)-1-[(2E)-2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 135479231
N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 94837416
N'-[(E)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 94837415
N-[(2S,3R)-1-[2-[(2-hydroxy-5-nitrophenyl)methylidene]hydrazinyl]-3-methyl-1-oxopentan-2-yl]benzamide
CID 137231638
methyl N-[(2-hydroxy-5-nitrophenyl)methylideneamino]carbamate
CID 3681346
(2R)-N-[(2-hydroxy-5-nitrophenyl)methylideneamino]-2-(4-phenylphenoxy)propanamide
CID 135682567
2-[(Z)-[[2-oxo-2-[[(1S)-1-phenylethyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 94847399
4-nitro-2-[[(2S)-2-phenylpropyl]iminomethyl]phenol
CID 135596350
N'-[(Z)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-N-[(1S)-1-phenylethyl]oxamide
CID 135813876

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-(1-phenylethyl)oxamide?
The IUPAC name of N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-(1-phenylethyl)oxamide (CID 135683234) is N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-(1-phenylethyl)oxamide.
What is the SMILES notation for N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-(1-phenylethyl)oxamide?
The canonical SMILES for N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-(1-phenylethyl)oxamide is CC(NC(=O)C(=O)N/N=C/c1cc([N+](=O)[O-])ccc1O)c1ccccc1.
What is the InChIKey of N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-(1-phenylethyl)oxamide?
The InChIKey is PIJRMMKIZJPCGS-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H16N4O5/c1-11(12-5-3-2-4-6-12)19-16(23)17(24)20-18-10-13-9-14(21(25)26)7-8-15(13)22/h2-11,22H,1H3,(H,19,23)(H,20,24)/b18-10+.
What are the key properties of N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-(1-phenylethyl)oxamide?
N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-(1-phenylethyl)oxamide has a molecular weight of 356.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]-N-(1-phenylethyl)oxamide is sourced from PubChem (CID 135683234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).