N-(2-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide

C15H22N2O3 — CID 47228973

IUPACN-(2-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
SMILESCC(CO)NC(=O)C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C15H22N2O3/c1-10(9-18)16-13(19)14(20)17-12-8-6-5-7-11(12)15(2,3)4/h5-8,10,18H,9H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyKLSMLBKUVCZRRV-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.42
Rot. Bonds3

About N-(2-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide

N-(2-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide (PubChem CID 47228973) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
PubChem CID47228973
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(2-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
SMILESCC(CO)NC(=O)C(=O)Nc1ccccc1C(C)(C)C
InChIInChI=1S/C15H22N2O3/c1-10(9-18)16-13(19)14(20)17-12-8-6-5-7-11(12)15(2,3)4/h5-8,10,18H,9H2,1-4H3,(H,16,19)(H,17,20)
InChIKeyKLSMLBKUVCZRRV-UHFFFAOYSA-N
XLogP1.42
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-tert-butylphenyl)-N'-(1-hydroxy-4-methylpentan-2-yl)oxamide
CID 111798073
N-(2-fluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228940
N-(2-tert-butylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108530240
1-[(2S)-1-hydroxypropan-2-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 79023676
N-(2,3-difluorophenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47457392
N-(3-fluoro-2-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 111521413
N-(2-tert-butylphenyl)-N'-(2,3-dimethylphenyl)oxamide
CID 108515358
N-(2-tert-butylphenyl)-N'-[(2S)-1-[[(2S)-1,1-diethoxybutan-2-yl]amino]-1-oxopropan-2-yl]oxamide
CID 58635218
N-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515211
N-(2-tert-butylphenyl)-N',N'-diethyloxamide
CID 47335864
2-(2-tert-butylanilino)-N-(3-methylbutan-2-yl)acetamide
CID 60686094
2-(2-tert-butylanilino)-2-oxoacetic acid;methyl (2S)-2-aminopropanoate;methyl (2S)-2-[[2-(2-tert-butylanilino)-2-oxoacetyl]amino]propanoate;hydrochloride
CID 161367963

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide?
The IUPAC name of N-(2-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide (CID 47228973) is N-(2-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide is CC(CO)NC(=O)C(=O)Nc1ccccc1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide?
The InChIKey is KLSMLBKUVCZRRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(9-18)16-13(19)14(20)17-12-8-6-5-7-11(12)15(2,3)4/h5-8,10,18H,9H2,1-4H3,(H,16,19)(H,17,20).
What are the key properties of N-(2-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide?
N-(2-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide has a molecular weight of 278.35 g/mol, XLogP of 1.42, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide is sourced from PubChem (CID 47228973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).