3-(4-methyloctan-4-yl)azetidine-1-carboxamide

C13H26N2O — CID 138545944

IUPAC3-(4-methyloctan-4-yl)azetidine-1-carboxamide
SMILESCCCCC(C)(CCC)C1CN(C(N)=O)C1
InChIInChI=1S/C13H26N2O/c1-4-6-8-13(3,7-5-2)11-9-15(10-11)12(14)16/h11H,4-10H2,1-3H3,(H2,14,16)
InChIKeyGYMNVDCYSLJLPV-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.99
Rot. Bonds6

About 3-(4-methyloctan-4-yl)azetidine-1-carboxamide

3-(4-methyloctan-4-yl)azetidine-1-carboxamide (PubChem CID 138545944) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 3-(4-methyloctan-4-yl)azetidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-methyloctan-4-yl)azetidine-1-carboxamide
PubChem CID138545944
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name3-(4-methyloctan-4-yl)azetidine-1-carboxamide
SMILESCCCCC(C)(CCC)C1CN(C(N)=O)C1
InChIInChI=1S/C13H26N2O/c1-4-6-8-13(3,7-5-2)11-9-15(10-11)12(14)16/h11H,4-10H2,1-3H3,(H2,14,16)
InChIKeyGYMNVDCYSLJLPV-UHFFFAOYSA-N
XLogP2.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methyloctan-4-yl)azetidine-1-carboxamide?
The IUPAC name of 3-(4-methyloctan-4-yl)azetidine-1-carboxamide (CID 138545944) is 3-(4-methyloctan-4-yl)azetidine-1-carboxamide.
What is the SMILES notation for 3-(4-methyloctan-4-yl)azetidine-1-carboxamide?
The canonical SMILES for 3-(4-methyloctan-4-yl)azetidine-1-carboxamide is CCCCC(C)(CCC)C1CN(C(N)=O)C1.
What is the InChIKey of 3-(4-methyloctan-4-yl)azetidine-1-carboxamide?
The InChIKey is GYMNVDCYSLJLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-4-6-8-13(3,7-5-2)11-9-15(10-11)12(14)16/h11H,4-10H2,1-3H3,(H2,14,16).
What are the key properties of 3-(4-methyloctan-4-yl)azetidine-1-carboxamide?
3-(4-methyloctan-4-yl)azetidine-1-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyloctan-4-yl)azetidine-1-carboxamide is sourced from PubChem (CID 138545944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).