N'-(2-ethylphenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide

C16H24N2O3 — CID 111121541

IUPACN'-(2-ethylphenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide
SMILESCCc1ccccc1NC(=O)C(=O)NCC(O)C(C)(C)C
InChIInChI=1S/C16H24N2O3/c1-5-11-8-6-7-9-12(11)18-15(21)14(20)17-10-13(19)16(2,3)4/h6-9,13,19H,5,10H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyGZQUTRWSEPMNEA-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.71
Rot. Bonds4

About N'-(2-ethylphenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide

N'-(2-ethylphenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide (PubChem CID 111121541) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N'-(2-ethylphenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide.

Molecular Properties

Compound NameN'-(2-ethylphenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide
PubChem CID111121541
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN'-(2-ethylphenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide
SMILESCCc1ccccc1NC(=O)C(=O)NCC(O)C(C)(C)C
InChIInChI=1S/C16H24N2O3/c1-5-11-8-6-7-9-12(11)18-15(21)14(20)17-10-13(19)16(2,3)4/h6-9,13,19H,5,10H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyGZQUTRWSEPMNEA-UHFFFAOYSA-N
XLogP1.71
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.71
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

1-[2-(ethoxymethyl)phenyl]-3-(2-hydroxy-3,3-dimethylbutyl)urea
CID 111431488
N'-(2-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 110893787
N-(2-ethylhexyl)-N'-(2-ethylphenyl)oxamide
CID 4656011
1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-methylphenyl)urea
CID 111430906
N'-(4-chloro-2-methylphenyl)-N-[(2S)-2-hydroxy-3,3-dimethylbutyl]oxamide
CID 96530978
N-[(2-chlorophenyl)methyl]-N'-(2-ethylphenyl)oxamide
CID 2266307
N'-(1,2-dihydroacenaphthylen-5-yl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide
CID 111121529
N,N'-bis(2-ethylphenyl)-2,2-dimethylpropanediamide
CID 108968190
2-(2-ethylanilino)-2-oxoacetyl chloride
CID 87858291
N'-(2-chloro-4,5-difluorophenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide
CID 111629766
N-[3-(dimethylamino)propyl]-N'-(2-ethylphenyl)oxamide
CID 7585187
N-(4-hydroxy-2-methylbutyl)-N'-[2-(2,2,2-trifluoroethyl)phenyl]oxamide
CID 111490979

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethylphenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide?
The IUPAC name of N'-(2-ethylphenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide (CID 111121541) is N'-(2-ethylphenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide.
What is the SMILES notation for N'-(2-ethylphenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide?
The canonical SMILES for N'-(2-ethylphenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide is CCc1ccccc1NC(=O)C(=O)NCC(O)C(C)(C)C.
What is the InChIKey of N'-(2-ethylphenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide?
The InChIKey is GZQUTRWSEPMNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-11-8-6-7-9-12(11)18-15(21)14(20)17-10-13(19)16(2,3)4/h6-9,13,19H,5,10H2,1-4H3,(H,17,20)(H,18,21).
What are the key properties of N'-(2-ethylphenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide?
N'-(2-ethylphenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide has a molecular weight of 292.38 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethylphenyl)-N-(2-hydroxy-3,3-dimethylbutyl)oxamide is sourced from PubChem (CID 111121541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).