1-(cyclobutanecarbonyl)-5-cyclopentyl-3,6-dihydro-2H-1,5-benzodiazocin-4-one

C20H26N2O2 — CID 134786724

IUPAC1-(cyclobutanecarbonyl)-5-cyclopentyl-3,6-dihydro-2H-1,5-benzodiazocin-4-one
SMILESO=C(C1CCC1)N1CCC(=O)N(C2CCCC2)Cc2ccccc21
InChIInChI=1S/C20H26N2O2/c23-19-12-13-21(20(24)15-7-5-8-15)18-11-4-1-6-16(18)14-22(19)17-9-2-3-10-17/h1,4,6,11,15,17H,2-3,5,7-10,12-14H2
InChIKeyKLFUPWMYFVHHPF-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.49
Rot. Bonds2

About 1-(cyclobutanecarbonyl)-5-cyclopentyl-3,6-dihydro-2H-1,5-benzodiazocin-4-one

1-(cyclobutanecarbonyl)-5-cyclopentyl-3,6-dihydro-2H-1,5-benzodiazocin-4-one (PubChem CID 134786724) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-(cyclobutanecarbonyl)-5-cyclopentyl-3,6-dihydro-2H-1,5-benzodiazocin-4-one.

Molecular Properties

Compound Name1-(cyclobutanecarbonyl)-5-cyclopentyl-3,6-dihydro-2H-1,5-benzodiazocin-4-one
PubChem CID134786724
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-(cyclobutanecarbonyl)-5-cyclopentyl-3,6-dihydro-2H-1,5-benzodiazocin-4-one
SMILESO=C(C1CCC1)N1CCC(=O)N(C2CCCC2)Cc2ccccc21
InChIInChI=1S/C20H26N2O2/c23-19-12-13-21(20(24)15-7-5-8-15)18-11-4-1-6-16(18)14-22(19)17-9-2-3-10-17/h1,4,6,11,15,17H,2-3,5,7-10,12-14H2
InChIKeyKLFUPWMYFVHHPF-UHFFFAOYSA-N
XLogP3.49
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(cyclohexanecarbonyl)-1-methyl-3,4-dihydro-1,5-benzodiazepin-2-one
CID 118740681
[1-(cyclobutylmethyl)piperidin-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 172901228
1-(1-cyclohexyl-5-oxopyrrolidine-3-carbonyl)-2,3-dihydroquinolin-4-one
CID 110612523
(3-aminocyclohexyl)-(2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 119673091
cyclopropyl-[4-(2,3-dihydroindole-1-carbonyl)piperidin-1-yl]methanone
CID 26290467
3,4-dihydro-2H-quinolin-1-yl-(1,1-dioxothian-3-yl)methanone
CID 110857121
5-cyclopentyl-1-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3,6-dihydro-2H-1,5-benzodiazocin-4-one
CID 134787075
cycloheptyl(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-yl)methanone;hydrochloride
CID 119521255
1-[2-[2-(cyclopropanecarbonyl)-2,11-diazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-11-yl]-2-oxoethyl]pyrrolidin-2-one
CID 133070041
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-(2,3-dihydroindol-1-yl)methanone
CID 124554087
(1S,5S)-3-(3,4-dihydro-2H-quinoline-1-carbonyl)bicyclo[3.3.1]nonan-9-one
CID 98294897
1-[3-(cyclohexanecarbonyl)-18-methyl-3,11,18-triazatricyclo[12.3.1.05,10]octadeca-5,7,9-trien-11-yl]propan-1-one
CID 110071824

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutanecarbonyl)-5-cyclopentyl-3,6-dihydro-2H-1,5-benzodiazocin-4-one?
The IUPAC name of 1-(cyclobutanecarbonyl)-5-cyclopentyl-3,6-dihydro-2H-1,5-benzodiazocin-4-one (CID 134786724) is 1-(cyclobutanecarbonyl)-5-cyclopentyl-3,6-dihydro-2H-1,5-benzodiazocin-4-one.
What is the SMILES notation for 1-(cyclobutanecarbonyl)-5-cyclopentyl-3,6-dihydro-2H-1,5-benzodiazocin-4-one?
The canonical SMILES for 1-(cyclobutanecarbonyl)-5-cyclopentyl-3,6-dihydro-2H-1,5-benzodiazocin-4-one is O=C(C1CCC1)N1CCC(=O)N(C2CCCC2)Cc2ccccc21.
What is the InChIKey of 1-(cyclobutanecarbonyl)-5-cyclopentyl-3,6-dihydro-2H-1,5-benzodiazocin-4-one?
The InChIKey is KLFUPWMYFVHHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c23-19-12-13-21(20(24)15-7-5-8-15)18-11-4-1-6-16(18)14-22(19)17-9-2-3-10-17/h1,4,6,11,15,17H,2-3,5,7-10,12-14H2.
What are the key properties of 1-(cyclobutanecarbonyl)-5-cyclopentyl-3,6-dihydro-2H-1,5-benzodiazocin-4-one?
1-(cyclobutanecarbonyl)-5-cyclopentyl-3,6-dihydro-2H-1,5-benzodiazocin-4-one has a molecular weight of 326.44 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutanecarbonyl)-5-cyclopentyl-3,6-dihydro-2H-1,5-benzodiazocin-4-one is sourced from PubChem (CID 134786724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).