N-(3,5-dimethylphenyl)-N',N'-bis(2-hydroxyethyl)oxamide

C14H20N2O4 — CID 108509946

IUPACN-(3,5-dimethylphenyl)-N',N'-bis(2-hydroxyethyl)oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)N(CCO)CCO)c1
InChIInChI=1S/C14H20N2O4/c1-10-7-11(2)9-12(8-10)15-13(19)14(20)16(3-5-17)4-6-18/h7-9,17-18H,3-6H2,1-2H3,(H,15,19)
InChIKeyOWTGPLMBARFXBL-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.06
Rot. Bonds5

About N-(3,5-dimethylphenyl)-N',N'-bis(2-hydroxyethyl)oxamide

N-(3,5-dimethylphenyl)-N',N'-bis(2-hydroxyethyl)oxamide (PubChem CID 108509946) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N',N'-bis(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N',N'-bis(2-hydroxyethyl)oxamide
PubChem CID108509946
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC NameN-(3,5-dimethylphenyl)-N',N'-bis(2-hydroxyethyl)oxamide
SMILESCc1cc(C)cc(NC(=O)C(=O)N(CCO)CCO)c1
InChIInChI=1S/C14H20N2O4/c1-10-7-11(2)9-12(8-10)15-13(19)14(20)16(3-5-17)4-6-18/h7-9,17-18H,3-6H2,1-2H3,(H,15,19)
InChIKeyOWTGPLMBARFXBL-UHFFFAOYSA-N
XLogP0.06
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N',N'-bis(2-hydroxyethyl)-N-(2-hydroxy-5-methylphenyl)oxamide
CID 108509860
N',N'-bis(2-hydroxyethyl)-N-[3-(trifluoromethyl)phenyl]oxamide
CID 108501333
N-(3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide
CID 111121343
N'-butyl-N-(3-methylphenyl)-N'-propyloxamide
CID 108515660
[4-[[2-[bis(2-hydroxyethyl)amino]-2-oxoacetyl]amino]phenyl] thiocyanate
CID 108509904
N-(4-chloro-3-fluorophenyl)-N'-(2-hydroxyethyl)-N'-pentyloxamide
CID 111121347
N'-ethyl-N'-(2-hydroxyethyl)-N-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 47263973
N'-(3,5-dimethylphenyl)-N-phenyloxamide
CID 44996455
N'-ethyl-N'-(2-hydroxyethyl)-N-(5-methyl-2-pyridinyl)oxamide
CID 108525220
N'-ethyl-N'-(2-hydroxyethyl)-N-(4-sulfamoylphenyl)oxamide
CID 108508740
N-[3,5-bis(trifluoromethyl)phenyl]-N',N'-dibutyloxamide
CID 108524560
N-(3-bromophenyl)-N',N'-dipropyloxamide
CID 47335979

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N',N'-bis(2-hydroxyethyl)oxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N',N'-bis(2-hydroxyethyl)oxamide (CID 108509946) is N-(3,5-dimethylphenyl)-N',N'-bis(2-hydroxyethyl)oxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N',N'-bis(2-hydroxyethyl)oxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N',N'-bis(2-hydroxyethyl)oxamide is Cc1cc(C)cc(NC(=O)C(=O)N(CCO)CCO)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N',N'-bis(2-hydroxyethyl)oxamide?
The InChIKey is OWTGPLMBARFXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10-7-11(2)9-12(8-10)15-13(19)14(20)16(3-5-17)4-6-18/h7-9,17-18H,3-6H2,1-2H3,(H,15,19).
What are the key properties of N-(3,5-dimethylphenyl)-N',N'-bis(2-hydroxyethyl)oxamide?
N-(3,5-dimethylphenyl)-N',N'-bis(2-hydroxyethyl)oxamide has a molecular weight of 280.32 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N',N'-bis(2-hydroxyethyl)oxamide is sourced from PubChem (CID 108509946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).