4-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide

C21H30N4O3 — CID 123148142

IUPAC4-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide
SMILESNC(=O)c1ccc(COC2CN(C(=O)N3CCCN(C4CCC4)CC3)C2)cc1
InChIInChI=1S/C21H30N4O3/c22-20(26)17-7-5-16(6-8-17)15-28-19-13-25(14-19)21(27)24-10-2-9-23(11-12-24)18-3-1-4-18/h5-8,18-19H,1-4,9-15H2,(H2,22,26)
InChIKeyFLGPUHQZIOHIQE-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.67
Rot. Bonds5

About 4-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide

4-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide (PubChem CID 123148142) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide.

Molecular Properties

Compound Name4-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide
PubChem CID123148142
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name4-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide
SMILESNC(=O)c1ccc(COC2CN(C(=O)N3CCCN(C4CCC4)CC3)C2)cc1
InChIInChI=1S/C21H30N4O3/c22-20(26)17-7-5-16(6-8-17)15-28-19-13-25(14-19)21(27)24-10-2-9-23(11-12-24)18-3-1-4-18/h5-8,18-19H,1-4,9-15H2,(H2,22,26)
InChIKeyFLGPUHQZIOHIQE-UHFFFAOYSA-N
XLogP1.67
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide with MolForge

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Related Compounds

3-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide
CID 123742636
6-[[3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)cyclobutyl]oxymethyl]pyridine-3-carboxamide
CID 123635327
(4-cyclobutyl-1,4-diazepan-1-yl)-[3-(4-methylphenoxy)azetidin-1-yl]methanone;ethane
CID 143888790
(4-cyclobutyl-1,4-diazepan-1-yl)-[3-(5-ethylpyrimidin-2-yl)oxyazetidin-1-yl]methanone
CID 58243453
4-[[2-(4-cyclopentyl-1,4-diazepan-1-yl)-2-oxoethyl]amino]benzamide
CID 71866711
(4-cyclobutyl-1,4-diazepan-1-yl)-[3-[(5-methoxy-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 58243445
CID 143888780
CID 143888780
(2R,4S)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-4-[(4-fluorophenyl)methoxy]pyrrolidine-1-carboxylic acid
CID 69001026
(4-cyclobutyl-1,4-diazepan-1-yl)-(4-ethylphenyl)methanone
CID 131702217
(4-cyclobutyl-1,4-diazepan-1-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 58243416
1-[(2R,4R)-2-(4-cyclobutyl-1,4-diazepane-1-carbonyl)-4-[(4-fluorophenyl)methoxy]pyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 44599078
4-[[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]methyl]benzamide
CID 95299028

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide?
The IUPAC name of 4-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide (CID 123148142) is 4-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide.
What is the SMILES notation for 4-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide?
The canonical SMILES for 4-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide is NC(=O)c1ccc(COC2CN(C(=O)N3CCCN(C4CCC4)CC3)C2)cc1.
What is the InChIKey of 4-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide?
The InChIKey is FLGPUHQZIOHIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c22-20(26)17-7-5-16(6-8-17)15-28-19-13-25(14-19)21(27)24-10-2-9-23(11-12-24)18-3-1-4-18/h5-8,18-19H,1-4,9-15H2,(H2,22,26).
What are the key properties of 4-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide?
4-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide has a molecular weight of 386.50 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide is sourced from PubChem (CID 123148142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).