N-(6-hydroxyhexyl)-N'-(4-methylphenyl)oxamide

C15H22N2O3 — CID 103917957

IUPACN-(6-hydroxyhexyl)-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCCCCCO)cc1
InChIInChI=1S/C15H22N2O3/c1-12-6-8-13(9-7-12)17-15(20)14(19)16-10-4-2-3-5-11-18/h6-9,18H,2-5,10-11H2,1H3,(H,16,19)(H,17,20)
InChIKeyYJBNUUOPFYKXKA-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.60
Rot. Bonds7

About N-(6-hydroxyhexyl)-N'-(4-methylphenyl)oxamide

N-(6-hydroxyhexyl)-N'-(4-methylphenyl)oxamide (PubChem CID 103917957) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)-N'-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)-N'-(4-methylphenyl)oxamide
PubChem CID103917957
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC NameN-(6-hydroxyhexyl)-N'-(4-methylphenyl)oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCCCCCO)cc1
InChIInChI=1S/C15H22N2O3/c1-12-6-8-13(9-7-12)17-15(20)14(19)16-10-4-2-3-5-11-18/h6-9,18H,2-5,10-11H2,1H3,(H,16,19)(H,17,20)
InChIKeyYJBNUUOPFYKXKA-UHFFFAOYSA-N
XLogP1.60
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.60
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-(3-hydroxypropyl)-N'-(4-methylphenyl)oxamide
CID 2247723
N-(6-hydroxyhexyl)-N'-phenyloxamide
CID 50850958
N'-(4-bromo-3-methylphenyl)-N-(5-hydroxypentyl)oxamide
CID 108525873
N-(5-hydroxypentyl)-N'-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]oxamide
CID 108525845
N-(2-aminoethyl)-N'-(4-methylphenyl)oxamide
CID 43315800
N'-(4-chlorophenyl)-N-nonyloxamide
CID 124542894
N'-(4-fluoro-3-methylphenyl)-N-(3-hydroxypropyl)oxamide
CID 110933503
N'-(1,3-benzodioxol-5-yl)-N-(5-hydroxypentyl)oxamide
CID 3156756
N-(5-hydroxypentyl)-N'-(3-methoxyphenyl)oxamide
CID 108519583
2-[2-[3-(dimethylamino)propylcarbamothioyl]hydrazinyl]-N-(4-methylphenyl)-2-oxoacetamide
CID 9214234
N-(3-hydroxypropyl)-N'-[4-methyl-3-(trifluoromethyl)phenyl]oxamide
CID 110893263
N'-(4-butoxyphenyl)-N-heptyloxamide
CID 17201915

Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)-N'-(4-methylphenyl)oxamide?
The IUPAC name of N-(6-hydroxyhexyl)-N'-(4-methylphenyl)oxamide (CID 103917957) is N-(6-hydroxyhexyl)-N'-(4-methylphenyl)oxamide.
What is the SMILES notation for N-(6-hydroxyhexyl)-N'-(4-methylphenyl)oxamide?
The canonical SMILES for N-(6-hydroxyhexyl)-N'-(4-methylphenyl)oxamide is Cc1ccc(NC(=O)C(=O)NCCCCCCO)cc1.
What is the InChIKey of N-(6-hydroxyhexyl)-N'-(4-methylphenyl)oxamide?
The InChIKey is YJBNUUOPFYKXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-12-6-8-13(9-7-12)17-15(20)14(19)16-10-4-2-3-5-11-18/h6-9,18H,2-5,10-11H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N-(6-hydroxyhexyl)-N'-(4-methylphenyl)oxamide?
N-(6-hydroxyhexyl)-N'-(4-methylphenyl)oxamide has a molecular weight of 278.35 g/mol, XLogP of 1.60, 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'-(4-methylphenyl)oxamide is sourced from PubChem (CID 103917957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).