3-methyl-1-(2-pentoxyacetyl)azetidine-3-carboxamide

C12H22N2O3 — CID 126820006

IUPAC3-methyl-1-(2-pentoxyacetyl)azetidine-3-carboxamide
SMILESCCCCCOCC(=O)N1CC(C)(C(N)=O)C1
InChIInChI=1S/C12H22N2O3/c1-3-4-5-6-17-7-10(15)14-8-12(2,9-14)11(13)16/h3-9H2,1-2H3,(H2,13,16)
InChIKeyANJIEWNORDQTPZ-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.53
Rot. Bonds7

About 3-methyl-1-(2-pentoxyacetyl)azetidine-3-carboxamide

3-methyl-1-(2-pentoxyacetyl)azetidine-3-carboxamide (PubChem CID 126820006) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-methyl-1-(2-pentoxyacetyl)azetidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-1-(2-pentoxyacetyl)azetidine-3-carboxamide
PubChem CID126820006
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name3-methyl-1-(2-pentoxyacetyl)azetidine-3-carboxamide
SMILESCCCCCOCC(=O)N1CC(C)(C(N)=O)C1
InChIInChI=1S/C12H22N2O3/c1-3-4-5-6-17-7-10(15)14-8-12(2,9-14)11(13)16/h3-9H2,1-2H3,(H2,13,16)
InChIKeyANJIEWNORDQTPZ-UHFFFAOYSA-N
XLogP0.53
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,3a,6a-trimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)-2-pentoxyethanone
CID 126842122
1-(3-amino-3-methylazetidin-1-yl)-2-propoxyethanone
CID 107941611
1-[4-(1-aminoethyl)piperidin-1-yl]-2-pentoxyethanone
CID 119517006
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-butoxyethanone;hydrochloride
CID 120817634
2-fluoro-2-[1-(2-pentoxyacetyl)piperidin-4-yl]acetamide
CID 127267487
1-[4-(methylamino)piperidin-1-yl]-2-pentoxyethanone;hydrochloride
CID 119560030
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-butoxyethanone;hydrochloride
CID 120807504
2-tridecoxyacetamide
CID 54483018
2-[2-[2-(2-pentoxyethoxy)ethoxy]ethoxy]acetamide
CID 171838427
1-(4-ethynyl-4-hydroxypiperidin-1-yl)-2-pentoxyethanone
CID 126833813
1-[3-(methoxymethyl)azetidin-1-yl]-2-pentoxyethanone
CID 126837154
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-pentoxyethanone;hydrochloride
CID 119635204

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-pentoxyacetyl)azetidine-3-carboxamide?
The IUPAC name of 3-methyl-1-(2-pentoxyacetyl)azetidine-3-carboxamide (CID 126820006) is 3-methyl-1-(2-pentoxyacetyl)azetidine-3-carboxamide.
What is the SMILES notation for 3-methyl-1-(2-pentoxyacetyl)azetidine-3-carboxamide?
The canonical SMILES for 3-methyl-1-(2-pentoxyacetyl)azetidine-3-carboxamide is CCCCCOCC(=O)N1CC(C)(C(N)=O)C1.
What is the InChIKey of 3-methyl-1-(2-pentoxyacetyl)azetidine-3-carboxamide?
The InChIKey is ANJIEWNORDQTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-4-5-6-17-7-10(15)14-8-12(2,9-14)11(13)16/h3-9H2,1-2H3,(H2,13,16).
What are the key properties of 3-methyl-1-(2-pentoxyacetyl)azetidine-3-carboxamide?
3-methyl-1-(2-pentoxyacetyl)azetidine-3-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-pentoxyacetyl)azetidine-3-carboxamide is sourced from PubChem (CID 126820006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).