N-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-N-methylacetamide

C12H22N2O2 — CID 155765572

IUPACN-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CN(C(=O)CC(C)(C)C)C1
InChIInChI=1S/C12H22N2O2/c1-9(15)13(5)10-7-14(8-10)11(16)6-12(2,3)4/h10H,6-8H2,1-5H3
InChIKeyYDDQGEMSWQNCKY-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.11
Rot. Bonds2

About N-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-N-methylacetamide

N-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-N-methylacetamide (PubChem CID 155765572) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-N-methylacetamide
PubChem CID155765572
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-N-methylacetamide
SMILESCC(=O)N(C)C1CN(C(=O)CC(C)(C)C)C1
InChIInChI=1S/C12H22N2O2/c1-9(15)13(5)10-7-14(8-10)11(16)6-12(2,3)4/h10H,6-8H2,1-5H3
InChIKeyYDDQGEMSWQNCKY-UHFFFAOYSA-N
XLogP1.11
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-1-(3-fluoroazetidin-1-yl)-3,3-dimethylbutan-1-one
CID 68915962
3-(Diisopropylamino)-1-isopropyl-4,4-dimethylazetidin-2-one
CID 50937090
1,3,3,4-Tetramethylazetidin-2-one
CID 13248591
1-Acetyl-3,3,4-trimethylazetidin-2-one
CID 20642912
2-(2,3-dimethyl-4-oxoazetidin-1-yl)-N,N,2-trimethylpropanamide
CID 23566495
3,3-Dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 53527640
1-[3-(Dimethylamino)azetidin-1-yl]butan-1-one
CID 53640684
N-[2-(dimethylamino)ethyl]-N,3,3-trimethylbutanamide
CID 57633657
(4S)-1-acetyl-3,3,4-trimethylazetidin-2-one
CID 57784972
(S)-2-amino-1-(azetidin-1-yl)-3,3-dimethylbutan-1-one
CID 58054144
N,2-dimethyl-N-(1-methylazetidin-3-yl)propanamide
CID 58468810
1-(Azetidin-1-yl)-3,3-dimethylbutan-1-one
CID 58756723

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-N-methylacetamide?
The IUPAC name of N-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-N-methylacetamide (CID 155765572) is N-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-N-methylacetamide?
The canonical SMILES for N-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-N-methylacetamide is CC(=O)N(C)C1CN(C(=O)CC(C)(C)C)C1.
What is the InChIKey of N-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-N-methylacetamide?
The InChIKey is YDDQGEMSWQNCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(15)13(5)10-7-14(8-10)11(16)6-12(2,3)4/h10H,6-8H2,1-5H3.
What are the key properties of N-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-N-methylacetamide?
N-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-N-methylacetamide has a molecular weight of 226.32 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,3-dimethylbutanoyl)azetidin-3-yl]-N-methylacetamide is sourced from PubChem (CID 155765572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).