(4-cyclobutyl-1,4-diazepan-1-yl)-[3-(4-methylphenoxy)azetidin-1-yl]methanone;ethane

C22H35N3O2 — CID 143888790

IUPAC(4-cyclobutyl-1,4-diazepan-1-yl)-[3-(4-methylphenoxy)azetidin-1-yl]methanone;ethane
SMILESCC.Cc1ccc(OC2CN(C(=O)N3CCCN(C4CCC4)CC3)C2)cc1
InChIInChI=1S/C20H29N3O2.C2H6/c1-16-6-8-18(9-7-16)25-19-14-23(15-19)20(24)22-11-3-10-21(12-13-22)17-4-2-5-17;1-2/h6-9,17,19H,2-5,10-15H2,1H3;1-2H3
InChIKeyGJLCFAKMFNZUFI-UHFFFAOYSA-N
MW373.54 g/mol
LogP3.76
Rot. Bonds3

About (4-cyclobutyl-1,4-diazepan-1-yl)-[3-(4-methylphenoxy)azetidin-1-yl]methanone;ethane

(4-cyclobutyl-1,4-diazepan-1-yl)-[3-(4-methylphenoxy)azetidin-1-yl]methanone;ethane (PubChem CID 143888790) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is (4-cyclobutyl-1,4-diazepan-1-yl)-[3-(4-methylphenoxy)azetidin-1-yl]methanone;ethane.

Molecular Properties

Compound Name(4-cyclobutyl-1,4-diazepan-1-yl)-[3-(4-methylphenoxy)azetidin-1-yl]methanone;ethane
PubChem CID143888790
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name(4-cyclobutyl-1,4-diazepan-1-yl)-[3-(4-methylphenoxy)azetidin-1-yl]methanone;ethane
SMILESCC.Cc1ccc(OC2CN(C(=O)N3CCCN(C4CCC4)CC3)C2)cc1
InChIInChI=1S/C20H29N3O2.C2H6/c1-16-6-8-18(9-7-16)25-19-14-23(15-19)20(24)22-11-3-10-21(12-13-22)17-4-2-5-17;1-2/h6-9,17,19H,2-5,10-15H2,1H3;1-2H3
InChIKeyGJLCFAKMFNZUFI-UHFFFAOYSA-N
XLogP3.76
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4-cyclobutyl-1,4-diazepan-1-yl)-[3-(4-methylphenoxy)azetidin-1-yl]methanone;ethane with MolForge

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

Launch Full Analysis

Related Compounds

CID 143888780
CID 143888780
(4-cyclobutyl-1,4-diazepan-1-yl)-[3-[(5-methoxy-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 58243445
6-[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxy-3,4-dihydro-2H-isoquinolin-1-one
CID 58243428
(4-cyclobutyl-1,4-diazepan-1-yl)-[3-(5-ethylpyrimidin-2-yl)oxyazetidin-1-yl]methanone
CID 58243453
4-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide
CID 123148142
3-(4-methylphenoxy)piperidine-1-carboxylic acid
CID 175309673
1-[3-(4-methylphenoxy)azetidin-1-yl]prop-2-en-1-one
CID 170199428
tert-butyl 2-(4-cyclopropyl-1,4-diazepane-1-carbonyl)-4-(4-fluorophenoxy)pyrrolidine-1-carboxylate
CID 75077791
(4-cyclobutyl-1,4-diazepan-1-yl)-[(2S)-4-(4-fluorophenoxy)-1-methylsulfonylpyrrolidin-2-yl]methanone
CID 143899512
(4-cyclobutyl-1,4-diazepan-1-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 58243416
1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-N-methylazetidine-3-carboxamide
CID 67057849
(2R,4S)-4-(4-chlorophenoxy)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)pyrrolidine-1-carboxylic acid
CID 69002290

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutyl-1,4-diazepan-1-yl)-[3-(4-methylphenoxy)azetidin-1-yl]methanone;ethane?
The IUPAC name of (4-cyclobutyl-1,4-diazepan-1-yl)-[3-(4-methylphenoxy)azetidin-1-yl]methanone;ethane (CID 143888790) is (4-cyclobutyl-1,4-diazepan-1-yl)-[3-(4-methylphenoxy)azetidin-1-yl]methanone;ethane.
What is the SMILES notation for (4-cyclobutyl-1,4-diazepan-1-yl)-[3-(4-methylphenoxy)azetidin-1-yl]methanone;ethane?
The canonical SMILES for (4-cyclobutyl-1,4-diazepan-1-yl)-[3-(4-methylphenoxy)azetidin-1-yl]methanone;ethane is CC.Cc1ccc(OC2CN(C(=O)N3CCCN(C4CCC4)CC3)C2)cc1.
What is the InChIKey of (4-cyclobutyl-1,4-diazepan-1-yl)-[3-(4-methylphenoxy)azetidin-1-yl]methanone;ethane?
The InChIKey is GJLCFAKMFNZUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.C2H6/c1-16-6-8-18(9-7-16)25-19-14-23(15-19)20(24)22-11-3-10-21(12-13-22)17-4-2-5-17;1-2/h6-9,17,19H,2-5,10-15H2,1H3;1-2H3.
What are the key properties of (4-cyclobutyl-1,4-diazepan-1-yl)-[3-(4-methylphenoxy)azetidin-1-yl]methanone;ethane?
(4-cyclobutyl-1,4-diazepan-1-yl)-[3-(4-methylphenoxy)azetidin-1-yl]methanone;ethane has a molecular weight of 373.54 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutyl-1,4-diazepan-1-yl)-[3-(4-methylphenoxy)azetidin-1-yl]methanone;ethane is sourced from PubChem (CID 143888790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).