N-tert-butyl-2-(3-methyl-3-propylazetidin-1-yl)acetamide

C13H26N2O — CID 169216248

IUPACN-tert-butyl-2-(3-methyl-3-propylazetidin-1-yl)acetamide
SMILESCCCC1(C)CN(CC(=O)NC(C)(C)C)C1
InChIInChI=1S/C13H26N2O/c1-6-7-13(5)9-15(10-13)8-11(16)14-12(2,3)4/h6-10H2,1-5H3,(H,14,16)
InChIKeyLSFKTFXQSZBBLR-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.02
Rot. Bonds4

About N-tert-butyl-2-(3-methyl-3-propylazetidin-1-yl)acetamide

N-tert-butyl-2-(3-methyl-3-propylazetidin-1-yl)acetamide (PubChem CID 169216248) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N-tert-butyl-2-(3-methyl-3-propylazetidin-1-yl)acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-(3-methyl-3-propylazetidin-1-yl)acetamide
PubChem CID169216248
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN-tert-butyl-2-(3-methyl-3-propylazetidin-1-yl)acetamide
SMILESCCCC1(C)CN(CC(=O)NC(C)(C)C)C1
InChIInChI=1S/C13H26N2O/c1-6-7-13(5)9-15(10-13)8-11(16)14-12(2,3)4/h6-10H2,1-5H3,(H,14,16)
InChIKeyLSFKTFXQSZBBLR-UHFFFAOYSA-N
XLogP2.02
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-methyl-3-propylazetidin-1-yl)acetamide?
The IUPAC name of N-tert-butyl-2-(3-methyl-3-propylazetidin-1-yl)acetamide (CID 169216248) is N-tert-butyl-2-(3-methyl-3-propylazetidin-1-yl)acetamide.
What is the SMILES notation for N-tert-butyl-2-(3-methyl-3-propylazetidin-1-yl)acetamide?
The canonical SMILES for N-tert-butyl-2-(3-methyl-3-propylazetidin-1-yl)acetamide is CCCC1(C)CN(CC(=O)NC(C)(C)C)C1.
What is the InChIKey of N-tert-butyl-2-(3-methyl-3-propylazetidin-1-yl)acetamide?
The InChIKey is LSFKTFXQSZBBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-6-7-13(5)9-15(10-13)8-11(16)14-12(2,3)4/h6-10H2,1-5H3,(H,14,16).
What are the key properties of N-tert-butyl-2-(3-methyl-3-propylazetidin-1-yl)acetamide?
N-tert-butyl-2-(3-methyl-3-propylazetidin-1-yl)acetamide has a molecular weight of 226.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-methyl-3-propylazetidin-1-yl)acetamide is sourced from PubChem (CID 169216248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).