N-(6-hydroxyhexyl)-N'-phenyloxamide

C14H20N2O3 — CID 50850958

IUPACN-(6-hydroxyhexyl)-N'-phenyloxamide
SMILESO=C(NCCCCCCO)C(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2O3/c17-11-7-2-1-6-10-15-13(18)14(19)16-12-8-4-3-5-9-12/h3-5,8-9,17H,1-2,6-7,10-11H2,(H,15,18)(H,16,19)
InChIKeyBNPHLXOAPJCYSP-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.29
Rot. Bonds7

About N-(6-hydroxyhexyl)-N'-phenyloxamide

N-(6-hydroxyhexyl)-N'-phenyloxamide (PubChem CID 50850958) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-N'-phenyloxamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-N'-phenyloxamide
PubChem CID50850958
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-(6-hydroxyhexyl)-N'-phenyloxamide
SMILESO=C(NCCCCCCO)C(=O)Nc1ccccc1
InChIInChI=1S/C14H20N2O3/c17-11-7-2-1-6-10-15-13(18)14(19)16-12-8-4-3-5-9-12/h3-5,8-9,17H,1-2,6-7,10-11H2,(H,15,18)(H,16,19)
InChIKeyBNPHLXOAPJCYSP-UHFFFAOYSA-N
XLogP1.29
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(6-hydroxyhexyl)-N'-(4-methylphenyl)oxamide
CID 103917957
N-butyl-N'-phenyloxamide
CID 2290889
N-(5-hydroxypentyl)-N'-(3-methoxyphenyl)oxamide
CID 108519583
N-(5-hydroxypentyl)-N'-(3-nitrophenyl)oxamide
CID 108513314
N-(3-methoxypropyl)-N'-phenyloxamide
CID 3437698
N'-phenyl-N-propyloxamide
CID 2291438
N-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide
CID 2247723
N'-(3-bromophenyl)-N-(3-hydroxypropyl)oxamide
CID 568365
N-(5-hydroxypentyl)-N'-(2-propan-2-ylphenyl)oxamide
CID 108500540
N'-(4-bromo-3-methylphenyl)-N-(5-hydroxypentyl)oxamide
CID 108525873
N'-(1,3-benzodioxol-5-yl)-N-(5-hydroxypentyl)oxamide
CID 3156756
N'-(4-anilinophenyl)-N-[2-(2-hydroxyethoxy)ethyl]oxamide
CID 108524269

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-N'-phenyloxamide?
The IUPAC name of N-(6-hydroxyhexyl)-N'-phenyloxamide (CID 50850958) is N-(6-hydroxyhexyl)-N'-phenyloxamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-N'-phenyloxamide?
The canonical SMILES for N-(6-hydroxyhexyl)-N'-phenyloxamide is O=C(NCCCCCCO)C(=O)Nc1ccccc1.
What is the InChIKey of N-(6-hydroxyhexyl)-N'-phenyloxamide?
The InChIKey is BNPHLXOAPJCYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-11-7-2-1-6-10-15-13(18)14(19)16-12-8-4-3-5-9-12/h3-5,8-9,17H,1-2,6-7,10-11H2,(H,15,18)(H,16,19).
What are the key properties of N-(6-hydroxyhexyl)-N'-phenyloxamide?
N-(6-hydroxyhexyl)-N'-phenyloxamide has a molecular weight of 264.32 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)-N'-phenyloxamide is sourced from PubChem (CID 50850958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).