N',N'-bis(2-hydroxyethyl)-N-methylbutanediamide

C9H18N2O4 — CID 20689596

IUPACN',N'-bis(2-hydroxyethyl)-N-methylbutanediamide
SMILESCNC(=O)CCC(=O)N(CCO)CCO
InChIInChI=1S/C9H18N2O4/c1-10-8(14)2-3-9(15)11(4-6-12)5-7-13/h12-13H,2-7H2,1H3,(H,10,14)
InChIKeyIZCZDECGVTZKRW-UHFFFAOYSA-N
MW218.25 g/mol
LogP-1.67
Rot. Bonds7

About N',N'-bis(2-hydroxyethyl)-N-methylbutanediamide

N',N'-bis(2-hydroxyethyl)-N-methylbutanediamide (PubChem CID 20689596) has the molecular formula C9H18N2O4 and a molecular weight of 218.25 g/mol. Its IUPAC name is N',N'-bis(2-hydroxyethyl)-N-methylbutanediamide.

Molecular Properties

Compound NameN',N'-bis(2-hydroxyethyl)-N-methylbutanediamide
PubChem CID20689596
Molecular FormulaC9H18N2O4
Molecular Weight218.25 g/mol
Exact Mass218.13
IUPAC NameN',N'-bis(2-hydroxyethyl)-N-methylbutanediamide
SMILESCNC(=O)CCC(=O)N(CCO)CCO
InChIInChI=1S/C9H18N2O4/c1-10-8(14)2-3-9(15)11(4-6-12)5-7-13/h12-13H,2-7H2,1H3,(H,10,14)
InChIKeyIZCZDECGVTZKRW-UHFFFAOYSA-N
XLogP-1.67
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 5-1.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N1,N4-bis(2-hydroxyethyl)succinamide
CID 231264
N-(2-Hydroxyethyl)butyramide
CID 252506
N,N'-bis[1-(hydroxymethyl)propyl]butanediamide
CID 469964
1-[(2S)-2-hydroxy-3-(methylamino)propyl]pyrrolidin-2-one
CID 28408742
Succinylmonocholinchlorid
CID 129821806
N'-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-N-methylbutanediamide
CID 135043175
Trifluoro-[[[4-(2-hydroxyethylamino)-4-oxobutyl]-dimethylazaniumyl]methyl]boranuide
CID 164817730
n,n,n',n'-Tetrakis(2-hydroxyethyl)butanediamide
CID 233984
2-Hydroxyethyl-[4-[2-hydroxyethyl(dimethyl)azaniumyl]-4-oxobutanoyl]-dimethylazanium diiodide
CID 129651633
Lactamide, N-(4-(diethylamino)butyl)-
CID 3030791
2,2,3,3-Tetrafluoro-N1,N4-bis(2-hydroxyethyl)butanediamide
CID 5001733
N-(2-hydroxyethyl)-4-(propan-2-ylamino)-N-(2,2,2-trifluoroethyl)butanamide
CID 54874871

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-hydroxyethyl)-N-methylbutanediamide?
The IUPAC name of N',N'-bis(2-hydroxyethyl)-N-methylbutanediamide (CID 20689596) is N',N'-bis(2-hydroxyethyl)-N-methylbutanediamide.
What is the SMILES notation for N',N'-bis(2-hydroxyethyl)-N-methylbutanediamide?
The canonical SMILES for N',N'-bis(2-hydroxyethyl)-N-methylbutanediamide is CNC(=O)CCC(=O)N(CCO)CCO.
What is the InChIKey of N',N'-bis(2-hydroxyethyl)-N-methylbutanediamide?
The InChIKey is IZCZDECGVTZKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O4/c1-10-8(14)2-3-9(15)11(4-6-12)5-7-13/h12-13H,2-7H2,1H3,(H,10,14).
What are the key properties of N',N'-bis(2-hydroxyethyl)-N-methylbutanediamide?
N',N'-bis(2-hydroxyethyl)-N-methylbutanediamide has a molecular weight of 218.25 g/mol, XLogP of -1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-hydroxyethyl)-N-methylbutanediamide is sourced from PubChem (CID 20689596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).