2-[azetidin-3-yl(ethyl)amino]-N-butan-2-ylpropanamide

C12H25N3O — CID 66181522

IUPAC2-[azetidin-3-yl(ethyl)amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)N(CC)C1CNC1
InChIInChI=1S/C12H25N3O/c1-5-9(3)14-12(16)10(4)15(6-2)11-7-13-8-11/h9-11,13H,5-8H2,1-4H3,(H,14,16)
InChIKeyKCSRWORRWGEBIM-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.58
Rot. Bonds6

About 2-[azetidin-3-yl(ethyl)amino]-N-butan-2-ylpropanamide

2-[azetidin-3-yl(ethyl)amino]-N-butan-2-ylpropanamide (PubChem CID 66181522) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[azetidin-3-yl(ethyl)amino]-N-butan-2-ylpropanamide.

Molecular Properties

Compound Name2-[azetidin-3-yl(ethyl)amino]-N-butan-2-ylpropanamide
PubChem CID66181522
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name2-[azetidin-3-yl(ethyl)amino]-N-butan-2-ylpropanamide
SMILESCCC(C)NC(=O)C(C)N(CC)C1CNC1
InChIInChI=1S/C12H25N3O/c1-5-9(3)14-12(16)10(4)15(6-2)11-7-13-8-11/h9-11,13H,5-8H2,1-4H3,(H,14,16)
InChIKeyKCSRWORRWGEBIM-UHFFFAOYSA-N
XLogP0.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[azetidin-3-yl(ethyl)amino]-N-butan-2-ylpropanamide?
The IUPAC name of 2-[azetidin-3-yl(ethyl)amino]-N-butan-2-ylpropanamide (CID 66181522) is 2-[azetidin-3-yl(ethyl)amino]-N-butan-2-ylpropanamide.
What is the SMILES notation for 2-[azetidin-3-yl(ethyl)amino]-N-butan-2-ylpropanamide?
The canonical SMILES for 2-[azetidin-3-yl(ethyl)amino]-N-butan-2-ylpropanamide is CCC(C)NC(=O)C(C)N(CC)C1CNC1.
What is the InChIKey of 2-[azetidin-3-yl(ethyl)amino]-N-butan-2-ylpropanamide?
The InChIKey is KCSRWORRWGEBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-5-9(3)14-12(16)10(4)15(6-2)11-7-13-8-11/h9-11,13H,5-8H2,1-4H3,(H,14,16).
What are the key properties of 2-[azetidin-3-yl(ethyl)amino]-N-butan-2-ylpropanamide?
2-[azetidin-3-yl(ethyl)amino]-N-butan-2-ylpropanamide has a molecular weight of 227.35 g/mol, XLogP of 0.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azetidin-3-yl(ethyl)amino]-N-butan-2-ylpropanamide is sourced from PubChem (CID 66181522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).