N'-(2-butan-2-ylphenyl)-N-(4-hydroxy-2-methylphenyl)oxamide

C19H22N2O3 — CID 108509668

IUPACN'-(2-butan-2-ylphenyl)-N-(4-hydroxy-2-methylphenyl)oxamide
SMILESCCC(C)c1ccccc1NC(=O)C(=O)Nc1ccc(O)cc1C
InChIInChI=1S/C19H22N2O3/c1-4-12(2)15-7-5-6-8-17(15)21-19(24)18(23)20-16-10-9-14(22)11-13(16)3/h5-12,22H,4H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyMOTPNVPWJCMIDU-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.79
Rot. Bonds4

About N'-(2-butan-2-ylphenyl)-N-(4-hydroxy-2-methylphenyl)oxamide

N'-(2-butan-2-ylphenyl)-N-(4-hydroxy-2-methylphenyl)oxamide (PubChem CID 108509668) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N'-(2-butan-2-ylphenyl)-N-(4-hydroxy-2-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-(2-butan-2-ylphenyl)-N-(4-hydroxy-2-methylphenyl)oxamide
PubChem CID108509668
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN'-(2-butan-2-ylphenyl)-N-(4-hydroxy-2-methylphenyl)oxamide
SMILESCCC(C)c1ccccc1NC(=O)C(=O)Nc1ccc(O)cc1C
InChIInChI=1S/C19H22N2O3/c1-4-12(2)15-7-5-6-8-17(15)21-19(24)18(23)20-16-10-9-14(22)11-13(16)3/h5-12,22H,4H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyMOTPNVPWJCMIDU-UHFFFAOYSA-N
XLogP3.79
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(2-butan-2-ylphenyl)-N'-(2,3-dimethylphenyl)oxamide
CID 108515395
N'-butan-2-yl-N-(4-hydroxy-2-methylphenyl)oxamide
CID 108505393
N-(2-butan-2-ylphenyl)-N'-(5-chloro-2-methylphenyl)oxamide
CID 108511864
N-(2-bromo-4-methylphenyl)-N'-(2-butan-2-ylphenyl)oxamide
CID 108532602
ethyl 2-[[2-(2-butan-2-ylanilino)-2-oxoacetyl]amino]benzoate
CID 108501945
N-(2-butan-2-ylphenyl)-N'-(5-hydroxynaphthalen-1-yl)oxamide
CID 108509432
ethyl 2-(2-butan-2-ylanilino)-2-oxoacetate
CID 3687050
N-[2-[(2R)-butan-2-yl]phenyl]acetamide
CID 959734
N'-(2-butan-2-ylphenyl)-N-[4-(trifluoromethyl)phenyl]oxamide
CID 108532679
N-[2-[(2S)-butan-2-yl]phenyl]-2-methylpropanamide
CID 959786
N'-(4-hydroxy-2-methylphenyl)-N-(3-methylbutyl)oxamide
CID 108509660
dimethyl 2-[[2-(2-butan-2-ylanilino)-2-oxoacetyl]amino]benzene-1,4-dicarboxylate
CID 108524500

Frequently Asked Questions

What is the IUPAC name of N'-(2-butan-2-ylphenyl)-N-(4-hydroxy-2-methylphenyl)oxamide?
The IUPAC name of N'-(2-butan-2-ylphenyl)-N-(4-hydroxy-2-methylphenyl)oxamide (CID 108509668) is N'-(2-butan-2-ylphenyl)-N-(4-hydroxy-2-methylphenyl)oxamide.
What is the SMILES notation for N'-(2-butan-2-ylphenyl)-N-(4-hydroxy-2-methylphenyl)oxamide?
The canonical SMILES for N'-(2-butan-2-ylphenyl)-N-(4-hydroxy-2-methylphenyl)oxamide is CCC(C)c1ccccc1NC(=O)C(=O)Nc1ccc(O)cc1C.
What is the InChIKey of N'-(2-butan-2-ylphenyl)-N-(4-hydroxy-2-methylphenyl)oxamide?
The InChIKey is MOTPNVPWJCMIDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-4-12(2)15-7-5-6-8-17(15)21-19(24)18(23)20-16-10-9-14(22)11-13(16)3/h5-12,22H,4H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of N'-(2-butan-2-ylphenyl)-N-(4-hydroxy-2-methylphenyl)oxamide?
N'-(2-butan-2-ylphenyl)-N-(4-hydroxy-2-methylphenyl)oxamide has a molecular weight of 326.40 g/mol, XLogP of 3.79, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-butan-2-ylphenyl)-N-(4-hydroxy-2-methylphenyl)oxamide is sourced from PubChem (CID 108509668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).