2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide

C10H22N2O3 — CID 91573505

IUPAC2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide
SMILESCNC(=O)C(NC(O)CC(C)O)C(C)C
InChIInChI=1S/C10H22N2O3/c1-6(2)9(10(15)11-4)12-8(14)5-7(3)13/h6-9,12-14H,5H2,1-4H3,(H,11,15)
InChIKeyBOGIFKJFPIATRJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP-0.56
Rot. Bonds6

About 2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide

2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide (PubChem CID 91573505) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide
PubChem CID91573505
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide
SMILESCNC(=O)C(NC(O)CC(C)O)C(C)C
InChIInChI=1S/C10H22N2O3/c1-6(2)9(10(15)11-4)12-8(14)5-7(3)13/h6-9,12-14H,5H2,1-4H3,(H,11,15)
InChIKeyBOGIFKJFPIATRJ-UHFFFAOYSA-N
XLogP-0.56
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[[hydroxy(methoxy)methyl]amino]-N,3-dimethylbutanamide
CID 90299785
(2R)-2-(chloroamino)-N,3-dimethylbutanamide
CID 88902514
(2S)-3-methyl-2-(methylamino)-N-[3-methyl-1-(methylamino)-1-oxobutan-2-yl]butanamide
CID 145135261
(2S)-N,3-dimethyl-2-(3-methylbutanoylamino)butanamide;ethane;molecular hydrogen
CID 169106352
5-methyl-N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]hexanamide
CID 146517470
(2R)-N-methyl-2-propan-2-ylpentanamide
CID 126694823
(2S)-2-acetamido-3-hydroxy-N-methylbutanamide
CID 130699535
5-hydroxy-3-propan-2-ylhexan-2-one
CID 79416894
(2S)-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]-N,3-dimethylbutanamide
CID 164902005
(2S,3R)-N,2-dihydroxy-N'-methyl-3-(2-methylpropyl)butanediamide
CID 90478336
2,3-dihydroxy-N,N'-dimethylbutanediamide
CID 5168238
4-hydroxypentan-2-yl N-methylcarbamate
CID 175361928

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide?
The IUPAC name of 2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide (CID 91573505) is 2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide.
What is the SMILES notation for 2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide?
The canonical SMILES for 2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide is CNC(=O)C(NC(O)CC(C)O)C(C)C.
What is the InChIKey of 2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide?
The InChIKey is BOGIFKJFPIATRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-6(2)9(10(15)11-4)12-8(14)5-7(3)13/h6-9,12-14H,5H2,1-4H3,(H,11,15).
What are the key properties of 2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide?
2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide has a molecular weight of 218.30 g/mol, XLogP of -0.56, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroxybutylamino)-N,3-dimethylbutanamide is sourced from PubChem (CID 91573505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).