N'-(1-hydroxypropan-2-yl)-N-(4-phenyldiazenylphenyl)oxamide

C17H18N4O3 — CID 42962660

IUPACN'-(1-hydroxypropan-2-yl)-N-(4-phenyldiazenylphenyl)oxamide
SMILESCC(CO)NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C17H18N4O3/c1-12(11-22)18-16(23)17(24)19-13-7-9-15(10-8-13)21-20-14-5-3-2-4-6-14/h2-10,12,22H,11H2,1H3,(H,18,23)(H,19,24)/b21-20+
InChIKeyDOXGMPBIBZVASK-QZQOTICOSA-N
MW326.36 g/mol
LogP2.54
Rot. Bonds5

About N'-(1-hydroxypropan-2-yl)-N-(4-phenyldiazenylphenyl)oxamide

N'-(1-hydroxypropan-2-yl)-N-(4-phenyldiazenylphenyl)oxamide (PubChem CID 42962660) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N'-(1-hydroxypropan-2-yl)-N-(4-phenyldiazenylphenyl)oxamide.

Molecular Properties

Compound NameN'-(1-hydroxypropan-2-yl)-N-(4-phenyldiazenylphenyl)oxamide
PubChem CID42962660
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN'-(1-hydroxypropan-2-yl)-N-(4-phenyldiazenylphenyl)oxamide
SMILESCC(CO)NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1
InChIInChI=1S/C17H18N4O3/c1-12(11-22)18-16(23)17(24)19-13-7-9-15(10-8-13)21-20-14-5-3-2-4-6-14/h2-10,12,22H,11H2,1H3,(H,18,23)(H,19,24)/b21-20+
InChIKeyDOXGMPBIBZVASK-QZQOTICOSA-N
XLogP2.54
TPSA103.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(4-phenyldiazenylphenyl)butanamide
CID 4650351
2-anilino-N-(1-hydroxypropan-2-yl)acetamide
CID 60862778
2-methyl-N-(4-phenyldiazenylphenyl)but-2-enamide
CID 175260592
N-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228940
N-[4-(4-phenyldiazenylphenyl)phenyl]acetamide
CID 2749691
2,2-dichloro-N-(4-phenyldiazenylphenyl)acetamide
CID 5180654
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(4-phenyldiazenylphenyl)acetamide
CID 8907332
N-(2-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228973
N-[4-(hydrazinecarbonyl)phenyl]-N'-(4-phenylbutan-2-yl)oxamide
CID 45059559
N'-[(2S)-butan-2-yl]-N-(4-ethylphenyl)oxamide
CID 41312150
N'-(1-hydroxypropan-2-yl)-N-methyloxamide
CID 130666774
1-(4-chlorophenyl)-3-(4-phenyldiazenylphenyl)urea
CID 4677729

Frequently Asked Questions

What is the IUPAC name of N'-(1-hydroxypropan-2-yl)-N-(4-phenyldiazenylphenyl)oxamide?
The IUPAC name of N'-(1-hydroxypropan-2-yl)-N-(4-phenyldiazenylphenyl)oxamide (CID 42962660) is N'-(1-hydroxypropan-2-yl)-N-(4-phenyldiazenylphenyl)oxamide.
What is the SMILES notation for N'-(1-hydroxypropan-2-yl)-N-(4-phenyldiazenylphenyl)oxamide?
The canonical SMILES for N'-(1-hydroxypropan-2-yl)-N-(4-phenyldiazenylphenyl)oxamide is CC(CO)NC(=O)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1.
What is the InChIKey of N'-(1-hydroxypropan-2-yl)-N-(4-phenyldiazenylphenyl)oxamide?
The InChIKey is DOXGMPBIBZVASK-QZQOTICOSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-12(11-22)18-16(23)17(24)19-13-7-9-15(10-8-13)21-20-14-5-3-2-4-6-14/h2-10,12,22H,11H2,1H3,(H,18,23)(H,19,24)/b21-20+.
What are the key properties of N'-(1-hydroxypropan-2-yl)-N-(4-phenyldiazenylphenyl)oxamide?
N'-(1-hydroxypropan-2-yl)-N-(4-phenyldiazenylphenyl)oxamide has a molecular weight of 326.36 g/mol, XLogP of 2.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-hydroxypropan-2-yl)-N-(4-phenyldiazenylphenyl)oxamide is sourced from PubChem (CID 42962660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).