N,1,3-tri(propan-2-yl)azetidine-3-carboxamide

C13H26N2O — CID 156628313

IUPACN,1,3-tri(propan-2-yl)azetidine-3-carboxamide
SMILESCC(C)NC(=O)C1(C(C)C)CN(C(C)C)C1
InChIInChI=1S/C13H26N2O/c1-9(2)13(12(16)14-10(3)4)7-15(8-13)11(5)6/h9-11H,7-8H2,1-6H3,(H,14,16)
InChIKeyACRKOLUYDPLIBK-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.88
Rot. Bonds4

About N,1,3-tri(propan-2-yl)azetidine-3-carboxamide

N,1,3-tri(propan-2-yl)azetidine-3-carboxamide (PubChem CID 156628313) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is N,1,3-tri(propan-2-yl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN,1,3-tri(propan-2-yl)azetidine-3-carboxamide
PubChem CID156628313
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC NameN,1,3-tri(propan-2-yl)azetidine-3-carboxamide
SMILESCC(C)NC(=O)C1(C(C)C)CN(C(C)C)C1
InChIInChI=1S/C13H26N2O/c1-9(2)13(12(16)14-10(3)4)7-15(8-13)11(5)6/h9-11H,7-8H2,1-6H3,(H,14,16)
InChIKeyACRKOLUYDPLIBK-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,1,3-tri(propan-2-yl)azetidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,1,3-tri(propan-2-yl)azetidine-3-carboxamide?
The IUPAC name of N,1,3-tri(propan-2-yl)azetidine-3-carboxamide (CID 156628313) is N,1,3-tri(propan-2-yl)azetidine-3-carboxamide.
What is the SMILES notation for N,1,3-tri(propan-2-yl)azetidine-3-carboxamide?
The canonical SMILES for N,1,3-tri(propan-2-yl)azetidine-3-carboxamide is CC(C)NC(=O)C1(C(C)C)CN(C(C)C)C1.
What is the InChIKey of N,1,3-tri(propan-2-yl)azetidine-3-carboxamide?
The InChIKey is ACRKOLUYDPLIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-9(2)13(12(16)14-10(3)4)7-15(8-13)11(5)6/h9-11H,7-8H2,1-6H3,(H,14,16).
What are the key properties of N,1,3-tri(propan-2-yl)azetidine-3-carboxamide?
N,1,3-tri(propan-2-yl)azetidine-3-carboxamide has a molecular weight of 226.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,3-tri(propan-2-yl)azetidine-3-carboxamide is sourced from PubChem (CID 156628313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).