N,2-dimethyl-N-[(4-methylazetidin-2-yl)methyl]butanamide

C11H22N2O — CID 168995513

IUPACN,2-dimethyl-N-[(4-methylazetidin-2-yl)methyl]butanamide
SMILESCCC(C)C(=O)N(C)CC1CC(C)N1
InChIInChI=1S/C11H22N2O/c1-5-8(2)11(14)13(4)7-10-6-9(3)12-10/h8-10,12H,5-7H2,1-4H3
InChIKeyXWMPOIYCUBHPPG-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.24
Rot. Bonds4

About N,2-dimethyl-N-[(4-methylazetidin-2-yl)methyl]butanamide

N,2-dimethyl-N-[(4-methylazetidin-2-yl)methyl]butanamide (PubChem CID 168995513) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N,2-dimethyl-N-[(4-methylazetidin-2-yl)methyl]butanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(4-methylazetidin-2-yl)methyl]butanamide
PubChem CID168995513
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN,2-dimethyl-N-[(4-methylazetidin-2-yl)methyl]butanamide
SMILESCCC(C)C(=O)N(C)CC1CC(C)N1
InChIInChI=1S/C11H22N2O/c1-5-8(2)11(14)13(4)7-10-6-9(3)12-10/h8-10,12H,5-7H2,1-4H3
InChIKeyXWMPOIYCUBHPPG-UHFFFAOYSA-N
XLogP1.24
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 89343843
N,2-dimethyl-N-propylbutanamide
CID 89368936
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CID 80658346
(2R)-N-hydroxy-N,2-dimethylbutanamide
CID 171076136
(2S)-2-amino-N,3-dimethyl-N-[(2-methylcyclopropyl)methyl]pentanamide
CID 63865558
2-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]propanamide
CID 63864984
1-(3,5-dimethylpiperazin-1-yl)-2-methylbutan-1-one
CID 63874418
(2S)-N,N-diethyl-2-methylbutanamide
CID 158106259
N-acetyl-N,2-dimethylbutanamide;ethane
CID 177191863
3-methyl-1-(5-methylmorpholin-3-yl)pentan-2-one
CID 165485552
N-(3-amino-3-hydroxyimino-2-methylpropyl)-N,2-dimethylbutanamide
CID 76910787
N-(3-amino-4-methylpentyl)-N,2-dimethylbutanamide;hydrochloride
CID 119657234

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(4-methylazetidin-2-yl)methyl]butanamide?
The IUPAC name of N,2-dimethyl-N-[(4-methylazetidin-2-yl)methyl]butanamide (CID 168995513) is N,2-dimethyl-N-[(4-methylazetidin-2-yl)methyl]butanamide.
What is the SMILES notation for N,2-dimethyl-N-[(4-methylazetidin-2-yl)methyl]butanamide?
The canonical SMILES for N,2-dimethyl-N-[(4-methylazetidin-2-yl)methyl]butanamide is CCC(C)C(=O)N(C)CC1CC(C)N1.
What is the InChIKey of N,2-dimethyl-N-[(4-methylazetidin-2-yl)methyl]butanamide?
The InChIKey is XWMPOIYCUBHPPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-5-8(2)11(14)13(4)7-10-6-9(3)12-10/h8-10,12H,5-7H2,1-4H3.
What are the key properties of N,2-dimethyl-N-[(4-methylazetidin-2-yl)methyl]butanamide?
N,2-dimethyl-N-[(4-methylazetidin-2-yl)methyl]butanamide has a molecular weight of 198.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(4-methylazetidin-2-yl)methyl]butanamide is sourced from PubChem (CID 168995513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).