N-methyl-2-(3-methylazetidin-3-yl)oxy-N-pent-4-enylacetamide

C12H22N2O2 — CID 102611697

IUPACN-methyl-2-(3-methylazetidin-3-yl)oxy-N-pent-4-enylacetamide
SMILESC=CCCCN(C)C(=O)COC1(C)CNC1
InChIInChI=1S/C12H22N2O2/c1-4-5-6-7-14(3)11(15)8-16-12(2)9-13-10-12/h4,13H,1,5-10H2,2-3H3
InChIKeyFUPFPVMULPLZPR-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.79
Rot. Bonds7

About N-methyl-2-(3-methylazetidin-3-yl)oxy-N-pent-4-enylacetamide

N-methyl-2-(3-methylazetidin-3-yl)oxy-N-pent-4-enylacetamide (PubChem CID 102611697) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-methyl-2-(3-methylazetidin-3-yl)oxy-N-pent-4-enylacetamide.

Molecular Properties

Compound NameN-methyl-2-(3-methylazetidin-3-yl)oxy-N-pent-4-enylacetamide
PubChem CID102611697
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-methyl-2-(3-methylazetidin-3-yl)oxy-N-pent-4-enylacetamide
SMILESC=CCCCN(C)C(=O)COC1(C)CNC1
InChIInChI=1S/C12H22N2O2/c1-4-5-6-7-14(3)11(15)8-16-12(2)9-13-10-12/h4,13H,1,5-10H2,2-3H3
InChIKeyFUPFPVMULPLZPR-UHFFFAOYSA-N
XLogP0.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-methyl-3-pent-4-enoxyazetidine
CID 83067660
N-methyl-N-pent-4-enylpropanamide
CID 115640317
N-cyclopropyl-N-(2-hydroxyethyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102655755
N-(2-but-3-enoxyethyl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 114183708
2-(3-methylazetidin-3-yl)oxyacetamide
CID 83065734
N-methyl-N-pent-4-enyl-3-piperidin-4-ylpropanamide
CID 113343495
N-methyl-N-pent-4-enylpiperidine-4-carboxamide;hydrochloride
CID 119330191
4-amino-N,4-dimethyl-N-pent-4-enylpentanamide
CID 115740355
ethane;N-methyl-N-pent-4-enylacetamide
CID 143214157
N-methyl-N-pent-4-enyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119795382
N,N-dimethyl-2-[[2-(3-methylazetidin-3-yl)oxyacetyl]-(2,2,2-trifluoroethyl)amino]acetamide
CID 102655902
2-[tert-butyl-[2-(3-methylazetidin-3-yl)oxyacetyl]amino]acetic acid
CID 102656329

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-methylazetidin-3-yl)oxy-N-pent-4-enylacetamide?
The IUPAC name of N-methyl-2-(3-methylazetidin-3-yl)oxy-N-pent-4-enylacetamide (CID 102611697) is N-methyl-2-(3-methylazetidin-3-yl)oxy-N-pent-4-enylacetamide.
What is the SMILES notation for N-methyl-2-(3-methylazetidin-3-yl)oxy-N-pent-4-enylacetamide?
The canonical SMILES for N-methyl-2-(3-methylazetidin-3-yl)oxy-N-pent-4-enylacetamide is C=CCCCN(C)C(=O)COC1(C)CNC1.
What is the InChIKey of N-methyl-2-(3-methylazetidin-3-yl)oxy-N-pent-4-enylacetamide?
The InChIKey is FUPFPVMULPLZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-5-6-7-14(3)11(15)8-16-12(2)9-13-10-12/h4,13H,1,5-10H2,2-3H3.
What are the key properties of N-methyl-2-(3-methylazetidin-3-yl)oxy-N-pent-4-enylacetamide?
N-methyl-2-(3-methylazetidin-3-yl)oxy-N-pent-4-enylacetamide has a molecular weight of 226.32 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-methylazetidin-3-yl)oxy-N-pent-4-enylacetamide is sourced from PubChem (CID 102611697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).