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

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Related Compounds

1-propan-2-yl-3-(1-sulfanylethyl)azetidine-3-carboxylic acid
CID 155474869
N,1-dimethyl-3-propan-2-ylazetidine-3-carboxamide;ethane
CID 156647639
3-fluoro-1-methyl-N-propan-2-ylazetidine-3-carboxamide
CID 137474317
1-(1-cyclohexylethyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984811
1-hydroxy-N-propan-2-ylcyclobutane-1-carboxamide
CID 59859685
1-fluoro-N-propan-2-ylcyclopropane-1-carboxamide
CID 149339132
1-(1-cyclobutylpropan-2-yl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984632
1-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984299
N-propan-2-ylbicyclo[1.1.1]pentane-1-carboxamide
CID 146427466
2,6-di(propan-2-yl)-2,6-diazaspiro[3.3]heptane
CID 20781150
(4-methyl-1-propan-2-ylpiperidin-4-yl) N-propan-2-ylcarbamate
CID 134434543
3-propan-2-yl-N-(1-propan-2-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 106979930

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).