N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-methoxy-N,3-dimethylbenzamide

C19H28N2O3 — CID 67772342

IUPACN-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-methoxy-N,3-dimethylbenzamide
SMILESCOc1ccc(C(=O)N(C)C(CN2CC(O)C2)C2CCC2)cc1C
InChIInChI=1S/C19H28N2O3/c1-13-9-15(7-8-18(13)24-3)19(23)20(2)17(14-5-4-6-14)12-21-10-16(22)11-21/h7-9,14,16-17,22H,4-6,10-12H2,1-3H3
InChIKeyZACQPTYGBYPVSI-UHFFFAOYSA-N
MW332.44 g/mol
LogP1.92
Rot. Bonds6

About N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-methoxy-N,3-dimethylbenzamide

N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-methoxy-N,3-dimethylbenzamide (PubChem CID 67772342) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-methoxy-N,3-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-methoxy-N,3-dimethylbenzamide
PubChem CID67772342
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-methoxy-N,3-dimethylbenzamide
SMILESCOc1ccc(C(=O)N(C)C(CN2CC(O)C2)C2CCC2)cc1C
InChIInChI=1S/C19H28N2O3/c1-13-9-15(7-8-18(13)24-3)19(23)20(2)17(14-5-4-6-14)12-21-10-16(22)11-21/h7-9,14,16-17,22H,4-6,10-12H2,1-3H3
InChIKeyZACQPTYGBYPVSI-UHFFFAOYSA-N
XLogP1.92
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-methoxy-N,3-dimethylbenzamide?
The IUPAC name of N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-methoxy-N,3-dimethylbenzamide (CID 67772342) is N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-methoxy-N,3-dimethylbenzamide.
What is the SMILES notation for N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-methoxy-N,3-dimethylbenzamide?
The canonical SMILES for N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-methoxy-N,3-dimethylbenzamide is COc1ccc(C(=O)N(C)C(CN2CC(O)C2)C2CCC2)cc1C.
What is the InChIKey of N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-methoxy-N,3-dimethylbenzamide?
The InChIKey is ZACQPTYGBYPVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13-9-15(7-8-18(13)24-3)19(23)20(2)17(14-5-4-6-14)12-21-10-16(22)11-21/h7-9,14,16-17,22H,4-6,10-12H2,1-3H3.
What are the key properties of N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-methoxy-N,3-dimethylbenzamide?
N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-methoxy-N,3-dimethylbenzamide has a molecular weight of 332.44 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclobutyl-2-(3-hydroxyazetidin-1-yl)ethyl]-4-methoxy-N,3-dimethylbenzamide is sourced from PubChem (CID 67772342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).