N-(3-hydroxy-4-methylpentyl)-N'-phenyloxamide

C14H20N2O3 — CID 111461297

IUPACN-(3-hydroxy-4-methylpentyl)-N'-phenyloxamide
SMILESCC(C)C(O)CCNC(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-10(2)12(17)8-9-15-13(18)14(19)16-11-6-4-3-5-7-11/h3-7,10,12,17H,8-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyHCOXWSQHVXMSJL-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.15
Rot. Bonds5

About N-(3-hydroxy-4-methylpentyl)-N'-phenyloxamide

N-(3-hydroxy-4-methylpentyl)-N'-phenyloxamide (PubChem CID 111461297) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylpentyl)-N'-phenyloxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylpentyl)-N'-phenyloxamide
PubChem CID111461297
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(3-hydroxy-4-methylpentyl)-N'-phenyloxamide
SMILESCC(C)C(O)CCNC(=O)C(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2O3/c1-10(2)12(17)8-9-15-13(18)14(19)16-11-6-4-3-5-7-11/h3-7,10,12,17H,8-9H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyHCOXWSQHVXMSJL-UHFFFAOYSA-N
XLogP1.15
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.15
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-4-methylpentyl)-N'-(2-methylphenyl)oxamide
CID 111490774
N'-(3,5-dichlorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490812
N'-(3-chloro-4-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490803
N'-phenyl-N-propyloxamide
CID 2291438
N-butyl-N'-phenyloxamide
CID 2290889
N-(3-hydroxy-2,2,4-trimethylpentyl)-N'-phenyloxamide
CID 109380534
N-(3-hydroxybutyl)-N'-[3-(2-phenylethynyl)phenyl]oxamide
CID 111337528
N'-(4-anilinophenyl)-N-(2-hydroxypropyl)oxamide
CID 108521320
N-[(3R)-3-(furan-3-yl)-3-hydroxypropyl]-N'-phenyloxamide
CID 97106351
N'-(5-chloro-2-fluorophenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490767
N'-(5-fluoro-2-methylphenyl)-N-(3-hydroxy-4-methylpentyl)oxamide
CID 111490783
N'-(4-iodophenyl)-N-(3-methylbutyl)oxamide
CID 47224746

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylpentyl)-N'-phenyloxamide?
The IUPAC name of N-(3-hydroxy-4-methylpentyl)-N'-phenyloxamide (CID 111461297) is N-(3-hydroxy-4-methylpentyl)-N'-phenyloxamide.
What is the SMILES notation for N-(3-hydroxy-4-methylpentyl)-N'-phenyloxamide?
The canonical SMILES for N-(3-hydroxy-4-methylpentyl)-N'-phenyloxamide is CC(C)C(O)CCNC(=O)C(=O)Nc1ccccc1.
What is the InChIKey of N-(3-hydroxy-4-methylpentyl)-N'-phenyloxamide?
The InChIKey is HCOXWSQHVXMSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10(2)12(17)8-9-15-13(18)14(19)16-11-6-4-3-5-7-11/h3-7,10,12,17H,8-9H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N-(3-hydroxy-4-methylpentyl)-N'-phenyloxamide?
N-(3-hydroxy-4-methylpentyl)-N'-phenyloxamide has a molecular weight of 264.32 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylpentyl)-N'-phenyloxamide is sourced from PubChem (CID 111461297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).