N-tert-butyl-3-methylazetidine-3-carboxamide

C9H18N2O — CID 130880266

IUPACN-tert-butyl-3-methylazetidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1(C)CNC1
InChIInChI=1S/C9H18N2O/c1-8(2,3)11-7(12)9(4)5-10-6-9/h10H,5-6H2,1-4H3,(H,11,12)
InChIKeyCTBNKZMZNGYLFJ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.51
Rot. Bonds1

About N-tert-butyl-3-methylazetidine-3-carboxamide

N-tert-butyl-3-methylazetidine-3-carboxamide (PubChem CID 130880266) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-tert-butyl-3-methylazetidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-methylazetidine-3-carboxamide
PubChem CID130880266
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-tert-butyl-3-methylazetidine-3-carboxamide
SMILESCC(C)(C)NC(=O)C1(C)CNC1
InChIInChI=1S/C9H18N2O/c1-8(2,3)11-7(12)9(4)5-10-6-9/h10H,5-6H2,1-4H3,(H,11,12)
InChIKeyCTBNKZMZNGYLFJ-UHFFFAOYSA-N
XLogP0.51
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methylazetidine-3-carboxamide?
The IUPAC name of N-tert-butyl-3-methylazetidine-3-carboxamide (CID 130880266) is N-tert-butyl-3-methylazetidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-3-methylazetidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-3-methylazetidine-3-carboxamide is CC(C)(C)NC(=O)C1(C)CNC1.
What is the InChIKey of N-tert-butyl-3-methylazetidine-3-carboxamide?
The InChIKey is CTBNKZMZNGYLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-8(2,3)11-7(12)9(4)5-10-6-9/h10H,5-6H2,1-4H3,(H,11,12).
What are the key properties of N-tert-butyl-3-methylazetidine-3-carboxamide?
N-tert-butyl-3-methylazetidine-3-carboxamide has a molecular weight of 170.26 g/mol, XLogP of 0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methylazetidine-3-carboxamide is sourced from PubChem (CID 130880266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).