2-(azetidin-3-yl)-N-(2-tert-butylcyclohexyl)propanamide

C16H30N2O — CID 116675144

IUPAC2-(azetidin-3-yl)-N-(2-tert-butylcyclohexyl)propanamide
SMILESCC(C(=O)NC1CCCCC1C(C)(C)C)C1CNC1
InChIInChI=1S/C16H30N2O/c1-11(12-9-17-10-12)15(19)18-14-8-6-5-7-13(14)16(2,3)4/h11-14,17H,5-10H2,1-4H3,(H,18,19)
InChIKeyJQRJNAKBWGXFTA-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.56
Rot. Bonds3

About 2-(azetidin-3-yl)-N-(2-tert-butylcyclohexyl)propanamide

2-(azetidin-3-yl)-N-(2-tert-butylcyclohexyl)propanamide (PubChem CID 116675144) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-(2-tert-butylcyclohexyl)propanamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-(2-tert-butylcyclohexyl)propanamide
PubChem CID116675144
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name2-(azetidin-3-yl)-N-(2-tert-butylcyclohexyl)propanamide
SMILESCC(C(=O)NC1CCCCC1C(C)(C)C)C1CNC1
InChIInChI=1S/C16H30N2O/c1-11(12-9-17-10-12)15(19)18-14-8-6-5-7-13(14)16(2,3)4/h11-14,17H,5-10H2,1-4H3,(H,18,19)
InChIKeyJQRJNAKBWGXFTA-UHFFFAOYSA-N
XLogP2.56
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-(2-tert-butylcyclohexyl)propanamide?
The IUPAC name of 2-(azetidin-3-yl)-N-(2-tert-butylcyclohexyl)propanamide (CID 116675144) is 2-(azetidin-3-yl)-N-(2-tert-butylcyclohexyl)propanamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-(2-tert-butylcyclohexyl)propanamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-(2-tert-butylcyclohexyl)propanamide is CC(C(=O)NC1CCCCC1C(C)(C)C)C1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-(2-tert-butylcyclohexyl)propanamide?
The InChIKey is JQRJNAKBWGXFTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-11(12-9-17-10-12)15(19)18-14-8-6-5-7-13(14)16(2,3)4/h11-14,17H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 2-(azetidin-3-yl)-N-(2-tert-butylcyclohexyl)propanamide?
2-(azetidin-3-yl)-N-(2-tert-butylcyclohexyl)propanamide has a molecular weight of 266.43 g/mol, XLogP of 2.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-(2-tert-butylcyclohexyl)propanamide is sourced from PubChem (CID 116675144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).