N,2-dimethyl-4-[1-(methylamino)-1-oxobutan-2-yl]oxybutanamide

C11H22N2O3 — CID 90163825

IUPACN,2-dimethyl-4-[1-(methylamino)-1-oxobutan-2-yl]oxybutanamide
SMILESCCC(OCCC(C)C(=O)NC)C(=O)NC
InChIInChI=1S/C11H22N2O3/c1-5-9(11(15)13-4)16-7-6-8(2)10(14)12-3/h8-9H,5-7H2,1-4H3,(H,12,14)(H,13,15)
InChIKeyNSVXFOCDNQDEPN-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.30
Rot. Bonds7

About N,2-dimethyl-4-[1-(methylamino)-1-oxobutan-2-yl]oxybutanamide

N,2-dimethyl-4-[1-(methylamino)-1-oxobutan-2-yl]oxybutanamide (PubChem CID 90163825) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is N,2-dimethyl-4-[1-(methylamino)-1-oxobutan-2-yl]oxybutanamide.

Molecular Properties

Compound NameN,2-dimethyl-4-[1-(methylamino)-1-oxobutan-2-yl]oxybutanamide
PubChem CID90163825
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC NameN,2-dimethyl-4-[1-(methylamino)-1-oxobutan-2-yl]oxybutanamide
SMILESCCC(OCCC(C)C(=O)NC)C(=O)NC
InChIInChI=1S/C11H22N2O3/c1-5-9(11(15)13-4)16-7-6-8(2)10(14)12-3/h8-9H,5-7H2,1-4H3,(H,12,14)(H,13,15)
InChIKeyNSVXFOCDNQDEPN-UHFFFAOYSA-N
XLogP0.30
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-[1-(methylamino)-1-oxobutan-2-yl]oxybutanamide?
The IUPAC name of N,2-dimethyl-4-[1-(methylamino)-1-oxobutan-2-yl]oxybutanamide (CID 90163825) is N,2-dimethyl-4-[1-(methylamino)-1-oxobutan-2-yl]oxybutanamide.
What is the SMILES notation for N,2-dimethyl-4-[1-(methylamino)-1-oxobutan-2-yl]oxybutanamide?
The canonical SMILES for N,2-dimethyl-4-[1-(methylamino)-1-oxobutan-2-yl]oxybutanamide is CCC(OCCC(C)C(=O)NC)C(=O)NC.
What is the InChIKey of N,2-dimethyl-4-[1-(methylamino)-1-oxobutan-2-yl]oxybutanamide?
The InChIKey is NSVXFOCDNQDEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-9(11(15)13-4)16-7-6-8(2)10(14)12-3/h8-9H,5-7H2,1-4H3,(H,12,14)(H,13,15).
What are the key properties of N,2-dimethyl-4-[1-(methylamino)-1-oxobutan-2-yl]oxybutanamide?
N,2-dimethyl-4-[1-(methylamino)-1-oxobutan-2-yl]oxybutanamide has a molecular weight of 230.31 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-[1-(methylamino)-1-oxobutan-2-yl]oxybutanamide is sourced from PubChem (CID 90163825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).