N',N'-dibutyl-N-(2-hydroxyethyl)oxamide

C12H24N2O3 — CID 108524538

IUPACN',N'-dibutyl-N-(2-hydroxyethyl)oxamide
SMILESCCCCN(CCCC)C(=O)C(=O)NCCO
InChIInChI=1S/C12H24N2O3/c1-3-5-8-14(9-6-4-2)12(17)11(16)13-7-10-15/h15H,3-10H2,1-2H3,(H,13,16)
InChIKeyJWBCBNZFNCHNMG-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.52
Rot. Bonds8

About N',N'-dibutyl-N-(2-hydroxyethyl)oxamide

N',N'-dibutyl-N-(2-hydroxyethyl)oxamide (PubChem CID 108524538) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is N',N'-dibutyl-N-(2-hydroxyethyl)oxamide.

Molecular Properties

Compound NameN',N'-dibutyl-N-(2-hydroxyethyl)oxamide
PubChem CID108524538
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC NameN',N'-dibutyl-N-(2-hydroxyethyl)oxamide
SMILESCCCCN(CCCC)C(=O)C(=O)NCCO
InChIInChI=1S/C12H24N2O3/c1-3-5-8-14(9-6-4-2)12(17)11(16)13-7-10-15/h15H,3-10H2,1-2H3,(H,13,16)
InChIKeyJWBCBNZFNCHNMG-UHFFFAOYSA-N
XLogP0.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N',N'-dibutyl-N-(2-hydroxyethyl)oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N',N'-dibutyl-N-(2-methoxyethyl)oxamide
CID 108504989
N',N'-diethyl-N-(2-hydroxyethyl)oxamide
CID 108526072
N'-butyl-N-ethyl-N'-propyloxamide
CID 108521406
N'-butyl-N-prop-2-enyl-N'-propyloxamide
CID 108521545
N-butyl-N',N'-bis(2-hydroxyethyl)-N-propyloxamide
CID 108509852
N-[3-(diethylamino)propyl]-N'-ethyl-N'-(2-hydroxyethyl)oxamide
CID 108524636
2-[butyl(2-hydroxyethyl)amino]-N-(2-hydroxyethyl)acetamide
CID 61446926
N,N,N',N'-tetrahexyloxamide
CID 6424911
N'-butyl-N-(2-methoxyethyl)-N'-methyloxamide
CID 108505015
3-hexadecyl-1-(2-hydroxyethyl)-1-octadecylurea
CID 88673978
N-butyl-N-(2-hydroxyethyl)-2-methylpent-2-enamide
CID 61217313
1-butyl-1-(3-hydroxypropyl)urea
CID 87441686

Frequently Asked Questions

What is the IUPAC name of N',N'-dibutyl-N-(2-hydroxyethyl)oxamide?
The IUPAC name of N',N'-dibutyl-N-(2-hydroxyethyl)oxamide (CID 108524538) is N',N'-dibutyl-N-(2-hydroxyethyl)oxamide.
What is the SMILES notation for N',N'-dibutyl-N-(2-hydroxyethyl)oxamide?
The canonical SMILES for N',N'-dibutyl-N-(2-hydroxyethyl)oxamide is CCCCN(CCCC)C(=O)C(=O)NCCO.
What is the InChIKey of N',N'-dibutyl-N-(2-hydroxyethyl)oxamide?
The InChIKey is JWBCBNZFNCHNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-5-8-14(9-6-4-2)12(17)11(16)13-7-10-15/h15H,3-10H2,1-2H3,(H,13,16).
What are the key properties of N',N'-dibutyl-N-(2-hydroxyethyl)oxamide?
N',N'-dibutyl-N-(2-hydroxyethyl)oxamide has a molecular weight of 244.33 g/mol, XLogP of 0.52, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibutyl-N-(2-hydroxyethyl)oxamide is sourced from PubChem (CID 108524538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).