N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-phenyloxamide

C16H24N2O3 — CID 109380534

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-N'-phenyloxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-11(2)13(19)16(3,4)10-17-14(20)15(21)18-12-8-6-5-7-9-12/h5-9,11,13,19H,10H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyHMIPDSOJMNEFQU-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.78
Rot. Bonds5

About N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-phenyloxamide

N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-phenyloxamide (PubChem CID 109380534) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-phenyloxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-N'-phenyloxamide
PubChem CID109380534
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-N'-phenyloxamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C16H24N2O3/c1-11(2)13(19)16(3,4)10-17-14(20)15(21)18-12-8-6-5-7-9-12/h5-9,11,13,19H,10H2,1-4H3,(H,17,20)(H,18,21)
InChIKeyHMIPDSOJMNEFQU-UHFFFAOYSA-N
XLogP1.78
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.78
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-(3-hydroxy-2,2,4-trimethylpentyl)-N'-naphthalen-2-yloxamide
CID 109389475
N'-(2,3-dihydro-1H-inden-5-yl)-N-(3-hydroxy-2,2,4-trimethylpentyl)oxamide
CID 109389453
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-N'-phenyloxamide
CID 90523165
N-(3-hydroxy-4-methylpentyl)-N'-phenyloxamide
CID 111461297
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(1-phenylethyl)urea
CID 109389617
N-(2-hydroxy-2,3-dimethylbutyl)-N'-(4-phenylphenyl)oxamide
CID 111435744
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(4-methoxyphenyl)urea
CID 109379511
N'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide
CID 108521320
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(propanoylamino)benzamide
CID 109381094
4,4,4-trifluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-3-phenylbutanamide
CID 109380932
1-[2-(dimethylamino)phenyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109388887
4-[(3-hydroxy-2,2,4-trimethylpentyl)carbamoylamino]-5-phenylpentanoic acid
CID 122028274

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-phenyloxamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-phenyloxamide (CID 109380534) is N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-phenyloxamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-phenyloxamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-phenyloxamide is CC(C)C(O)C(C)(C)CNC(=O)C(=O)Nc1ccccc1.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-phenyloxamide?
The InChIKey is HMIPDSOJMNEFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-11(2)13(19)16(3,4)10-17-14(20)15(21)18-12-8-6-5-7-9-12/h5-9,11,13,19H,10H2,1-4H3,(H,17,20)(H,18,21).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-phenyloxamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-phenyloxamide has a molecular weight of 292.38 g/mol, XLogP of 1.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-phenyloxamide is sourced from PubChem (CID 109380534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).