N-[1-cyclopropyl-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethyl]-N,3,4-trimethylbenzamide

C21H30N2O2 — CID 67773950

IUPACN-[1-cyclopropyl-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethyl]-N,3,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C(CN2CC(O)(C3CC3)C2)C2CC2)cc1C
InChIInChI=1S/C21H30N2O2/c1-14-4-5-17(10-15(14)2)20(24)22(3)19(16-6-7-16)11-23-12-21(25,13-23)18-8-9-18/h4-5,10,16,18-19,25H,6-9,11-13H2,1-3H3
InChIKeyKTLWTWFFERTNIR-UHFFFAOYSA-N
MW342.48 g/mol
LogP2.61
Rot. Bonds6

About N-[1-cyclopropyl-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethyl]-N,3,4-trimethylbenzamide

N-[1-cyclopropyl-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethyl]-N,3,4-trimethylbenzamide (PubChem CID 67773950) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-[1-cyclopropyl-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethyl]-N,3,4-trimethylbenzamide.

Molecular Properties

Compound NameN-[1-cyclopropyl-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethyl]-N,3,4-trimethylbenzamide
PubChem CID67773950
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-[1-cyclopropyl-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethyl]-N,3,4-trimethylbenzamide
SMILESCc1ccc(C(=O)N(C)C(CN2CC(O)(C3CC3)C2)C2CC2)cc1C
InChIInChI=1S/C21H30N2O2/c1-14-4-5-17(10-15(14)2)20(24)22(3)19(16-6-7-16)11-23-12-21(25,13-23)18-8-9-18/h4-5,10,16,18-19,25H,6-9,11-13H2,1-3H3
InChIKeyKTLWTWFFERTNIR-UHFFFAOYSA-N
XLogP2.61
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethyl]-N,3,4-trimethylbenzamide?
The IUPAC name of N-[1-cyclopropyl-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethyl]-N,3,4-trimethylbenzamide (CID 67773950) is N-[1-cyclopropyl-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethyl]-N,3,4-trimethylbenzamide.
What is the SMILES notation for N-[1-cyclopropyl-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethyl]-N,3,4-trimethylbenzamide?
The canonical SMILES for N-[1-cyclopropyl-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethyl]-N,3,4-trimethylbenzamide is Cc1ccc(C(=O)N(C)C(CN2CC(O)(C3CC3)C2)C2CC2)cc1C.
What is the InChIKey of N-[1-cyclopropyl-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethyl]-N,3,4-trimethylbenzamide?
The InChIKey is KTLWTWFFERTNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-14-4-5-17(10-15(14)2)20(24)22(3)19(16-6-7-16)11-23-12-21(25,13-23)18-8-9-18/h4-5,10,16,18-19,25H,6-9,11-13H2,1-3H3.
What are the key properties of N-[1-cyclopropyl-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethyl]-N,3,4-trimethylbenzamide?
N-[1-cyclopropyl-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethyl]-N,3,4-trimethylbenzamide has a molecular weight of 342.48 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-2-(3-cyclopropyl-3-hydroxyazetidin-1-yl)ethyl]-N,3,4-trimethylbenzamide is sourced from PubChem (CID 67773950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).