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

C21H30N4O3 — CID 123742636

IUPAC3-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide
SMILESNC(=O)c1cccc(COC2CN(C(=O)N3CCCN(C4CCC4)CC3)C2)c1
InChIInChI=1S/C21H30N4O3/c22-20(26)17-5-1-4-16(12-17)15-28-19-13-25(14-19)21(27)24-9-3-8-23(10-11-24)18-6-2-7-18/h1,4-5,12,18-19H,2-3,6-11,13-15H2,(H2,22,26)
InChIKeyQZDSKJWUNHBCAF-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.67
Rot. Bonds5

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

3-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide (PubChem CID 123742636) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide.

Molecular Properties

Compound Name3-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide
PubChem CID123742636
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name3-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide
SMILESNC(=O)c1cccc(COC2CN(C(=O)N3CCCN(C4CCC4)CC3)C2)c1
InChIInChI=1S/C21H30N4O3/c22-20(26)17-5-1-4-16(12-17)15-28-19-13-25(14-19)21(27)24-9-3-8-23(10-11-24)18-6-2-7-18/h1,4-5,12,18-19H,2-3,6-11,13-15H2,(H2,22,26)
InChIKeyQZDSKJWUNHBCAF-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

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Related Compounds

4-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide
CID 123148142
2-[[3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]phenyl]methoxy]benzamide
CID 167933828
3-[(4-aminocyclohexyl)oxymethyl]benzamide
CID 62807395
6-[[3-(4-cyclobutyl-1,4-diazepane-1-carbonyl)cyclobutyl]oxymethyl]pyridine-3-carboxamide
CID 123635327
(4-cyclobutyl-1,4-diazepan-1-yl)-(3-phenylmethoxyphenyl)methanone
CID 11175983
(4-cyclobutyl-1,4-diazepan-1-yl)-[3-(4-methylphenoxy)azetidin-1-yl]methanone;ethane
CID 143888790
3-(oxan-2-yloxymethyl)benzamide
CID 139882771
(4-cyclobutyl-1,4-diazepan-1-yl)-[3-(5-ethylpyrimidin-2-yl)oxyazetidin-1-yl]methanone
CID 58243453
methyl 4-[(3-carbamoylphenyl)methoxy]cyclohexane-1-carboxylate
CID 114450493
N-[(3-carbamoylphenyl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55719111
(4-cyclobutyl-1,4-diazepan-1-yl)-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 58243416
(4-cyclobutyl-1,4-diazepan-1-yl)-[3-[(5-methoxy-2-pyridinyl)oxy]azetidin-1-yl]methanone
CID 58243445

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide?
The IUPAC name of 3-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide (CID 123742636) is 3-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide.
What is the SMILES notation for 3-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide?
The canonical SMILES for 3-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide is NC(=O)c1cccc(COC2CN(C(=O)N3CCCN(C4CCC4)CC3)C2)c1.
What is the InChIKey of 3-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide?
The InChIKey is QZDSKJWUNHBCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c22-20(26)17-5-1-4-16(12-17)15-28-19-13-25(14-19)21(27)24-9-3-8-23(10-11-24)18-6-2-7-18/h1,4-5,12,18-19H,2-3,6-11,13-15H2,(H2,22,26).
What are the key properties of 3-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide?
3-[[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 3-[[1-(4-cyclobutyl-1,4-diazepane-1-carbonyl)azetidin-3-yl]oxymethyl]benzamide is sourced from PubChem (CID 123742636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).