2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethyl-N-methylpropanamide

C11H21N3O2 — CID 103109207

IUPAC2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NC(=O)CC1CNC1
InChIInChI=1S/C11H21N3O2/c1-4-14(3)11(16)8(2)13-10(15)5-9-6-12-7-9/h8-9,12H,4-7H2,1-3H3,(H,13,15)
InChIKeyVNDSNBKKGMOBCT-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.42
Rot. Bonds5

About 2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethyl-N-methylpropanamide

2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethyl-N-methylpropanamide (PubChem CID 103109207) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethyl-N-methylpropanamide
PubChem CID103109207
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)NC(=O)CC1CNC1
InChIInChI=1S/C11H21N3O2/c1-4-14(3)11(16)8(2)13-10(15)5-9-6-12-7-9/h8-9,12H,4-7H2,1-3H3,(H,13,15)
InChIKeyVNDSNBKKGMOBCT-UHFFFAOYSA-N
XLogP-0.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethyl-N-methylpropanamide (CID 103109207) is 2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)NC(=O)CC1CNC1.
What is the InChIKey of 2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethyl-N-methylpropanamide?
The InChIKey is VNDSNBKKGMOBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-4-14(3)11(16)8(2)13-10(15)5-9-6-12-7-9/h8-9,12H,4-7H2,1-3H3,(H,13,15).
What are the key properties of 2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethyl-N-methylpropanamide?
2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethyl-N-methylpropanamide has a molecular weight of 227.31 g/mol, XLogP of -0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(azetidin-3-yl)acetyl]amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103109207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).