N-butyl-N',N'-bis(2-hydroxyethyl)-N-propyloxamide

C13H26N2O4 — CID 108509852

IUPACN-butyl-N',N'-bis(2-hydroxyethyl)-N-propyloxamide
SMILESCCCCN(CCC)C(=O)C(=O)N(CCO)CCO
InChIInChI=1S/C13H26N2O4/c1-3-5-7-14(6-4-2)12(18)13(19)15(8-10-16)9-11-17/h16-17H,3-11H2,1-2H3
InChIKeyJCWWPANKDIWRAD-UHFFFAOYSA-N
MW274.36 g/mol
LogP-0.16
Rot. Bonds9

About N-butyl-N',N'-bis(2-hydroxyethyl)-N-propyloxamide

N-butyl-N',N'-bis(2-hydroxyethyl)-N-propyloxamide (PubChem CID 108509852) has the molecular formula C13H26N2O4 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-butyl-N',N'-bis(2-hydroxyethyl)-N-propyloxamide.

Molecular Properties

Compound NameN-butyl-N',N'-bis(2-hydroxyethyl)-N-propyloxamide
PubChem CID108509852
Molecular FormulaC13H26N2O4
Molecular Weight274.36 g/mol
Exact Mass274.19
IUPAC NameN-butyl-N',N'-bis(2-hydroxyethyl)-N-propyloxamide
SMILESCCCCN(CCC)C(=O)C(=O)N(CCO)CCO
InChIInChI=1S/C13H26N2O4/c1-3-5-7-14(6-4-2)12(18)13(19)15(8-10-16)9-11-17/h16-17H,3-11H2,1-2H3
InChIKeyJCWWPANKDIWRAD-UHFFFAOYSA-N
XLogP-0.16
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-(2-hydroxyethyl)-2-methylpent-2-enamide
CID 61217313
N,N,N',N'-tetrahexyloxamide
CID 6424911
N-butyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
CID 103513897
N'-butyl-N-ethyl-N'-propyloxamide
CID 108521406
N-butyl-N-(2-hydroxyethyl)-2-methoxyacetamide
CID 20697100
N',N'-dibutyl-N-(2-hydroxyethyl)oxamide
CID 108524538
1-butyl-1-(2-hydroxyethyl)-3-propan-2-ylurea
CID 60781183
3-amino-N-butyl-N-(2-hydroxyethyl)-3-methylbutanamide
CID 64684879
2-[1-aminoethenyl(butyl)amino]ethanol
CID 166647301
1-butyl-1-(3-hydroxypropyl)urea
CID 87441686
N-(2-hydroxyethyl)-2,2-dimethyl-N-pentylpropanamide
CID 59440869
N'-butyl-N-prop-2-enyl-N'-propyloxamide
CID 108521545

Frequently Asked Questions

What is the IUPAC name of N-butyl-N',N'-bis(2-hydroxyethyl)-N-propyloxamide?
The IUPAC name of N-butyl-N',N'-bis(2-hydroxyethyl)-N-propyloxamide (CID 108509852) is N-butyl-N',N'-bis(2-hydroxyethyl)-N-propyloxamide.
What is the SMILES notation for N-butyl-N',N'-bis(2-hydroxyethyl)-N-propyloxamide?
The canonical SMILES for N-butyl-N',N'-bis(2-hydroxyethyl)-N-propyloxamide is CCCCN(CCC)C(=O)C(=O)N(CCO)CCO.
What is the InChIKey of N-butyl-N',N'-bis(2-hydroxyethyl)-N-propyloxamide?
The InChIKey is JCWWPANKDIWRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O4/c1-3-5-7-14(6-4-2)12(18)13(19)15(8-10-16)9-11-17/h16-17H,3-11H2,1-2H3.
What are the key properties of N-butyl-N',N'-bis(2-hydroxyethyl)-N-propyloxamide?
N-butyl-N',N'-bis(2-hydroxyethyl)-N-propyloxamide has a molecular weight of 274.36 g/mol, XLogP of -0.16, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N',N'-bis(2-hydroxyethyl)-N-propyloxamide is sourced from PubChem (CID 108509852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).