N-methyl-N,2-di(propan-2-yl)azetidine-1-carboxamide

C11H22N2O — CID 128587159

IUPACN-methyl-N,2-di(propan-2-yl)azetidine-1-carboxamide
SMILESCC(C)C1CCN1C(=O)N(C)C(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)10-6-7-13(10)11(14)12(5)9(3)4/h8-10H,6-7H2,1-5H3
InChIKeyXYQDLKJXPCRJGS-UHFFFAOYSA-N
MW198.31 g/mol
LogP2.18
Rot. Bonds2

About N-methyl-N,2-di(propan-2-yl)azetidine-1-carboxamide

N-methyl-N,2-di(propan-2-yl)azetidine-1-carboxamide (PubChem CID 128587159) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-methyl-N,2-di(propan-2-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-N,2-di(propan-2-yl)azetidine-1-carboxamide
PubChem CID128587159
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-methyl-N,2-di(propan-2-yl)azetidine-1-carboxamide
SMILESCC(C)C1CCN1C(=O)N(C)C(C)C
InChIInChI=1S/C11H22N2O/c1-8(2)10-6-7-13(10)11(14)12(5)9(3)4/h8-10H,6-7H2,1-5H3
InChIKeyXYQDLKJXPCRJGS-UHFFFAOYSA-N
XLogP2.18
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-Dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone
CID 170766718
(2,4-Dimethylpyrrolidin-1-yl)-(3-fluoroazetidin-1-yl)methanone
CID 170767344
(3-Fluoroazetidin-1-yl)-(2-methyl-3-propan-2-ylpyrrolidin-1-yl)methanone
CID 178466897
N-cyclopentyl-3-(fluoromethyl)-N-methylazetidine-1-carboxamide
CID 126794063
3,4-Diethyl-1,5-dimethyl-1,3-diazinan-2-one
CID 21354350
N-methyl-N-[(3S)-2,2,4-trimethylpentan-3-yl]azetidine-1-carboxamide
CID 58469200
1-(2,4-Dimethylpentan-3-yl)-1,3,3-trimethylurea
CID 58469260
N-(2,4-dimethylpentan-3-yl)-N-methylazetidine-1-carboxamide
CID 58469653
N-methyl-3-propylazetidine-1-carboxamide
CID 67128876
N-methyl-N-(3-methylbutan-2-yl)azetidine-1-carboxamide
CID 68220889
N-methyl-N-(2,2,4-trimethylpentan-3-yl)azetidine-1-carboxamide
CID 68221672
N-methyl-N-[(2S)-3-methylbutan-2-yl]azetidine-1-carboxamide
CID 89425441

Frequently Asked Questions

What is the IUPAC name of N-methyl-N,2-di(propan-2-yl)azetidine-1-carboxamide?
The IUPAC name of N-methyl-N,2-di(propan-2-yl)azetidine-1-carboxamide (CID 128587159) is N-methyl-N,2-di(propan-2-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-methyl-N,2-di(propan-2-yl)azetidine-1-carboxamide?
The canonical SMILES for N-methyl-N,2-di(propan-2-yl)azetidine-1-carboxamide is CC(C)C1CCN1C(=O)N(C)C(C)C.
What is the InChIKey of N-methyl-N,2-di(propan-2-yl)azetidine-1-carboxamide?
The InChIKey is XYQDLKJXPCRJGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-8(2)10-6-7-13(10)11(14)12(5)9(3)4/h8-10H,6-7H2,1-5H3.
What are the key properties of N-methyl-N,2-di(propan-2-yl)azetidine-1-carboxamide?
N-methyl-N,2-di(propan-2-yl)azetidine-1-carboxamide has a molecular weight of 198.31 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N,2-di(propan-2-yl)azetidine-1-carboxamide is sourced from PubChem (CID 128587159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).