3-[1-(dimethylamino)-2-methylpropan-2-yl]-3H-benzo[g][2]benzofuran-1-one

C18H21NO2 — CID 134111717

IUPAC3-[1-(dimethylamino)-2-methylpropan-2-yl]-3H-benzo[g][2]benzofuran-1-one
SMILESCN(C)CC(C)(C)C1OC(=O)c2c1ccc1ccccc21
InChIInChI=1S/C18H21NO2/c1-18(2,11-19(3)4)16-14-10-9-12-7-5-6-8-13(12)15(14)17(20)21-16/h5-10,16H,11H2,1-4H3
InChIKeyUYVFKHYHUKPSJC-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.64
Rot. Bonds3

About 3-[1-(dimethylamino)-2-methylpropan-2-yl]-3H-benzo[g][2]benzofuran-1-one

3-[1-(dimethylamino)-2-methylpropan-2-yl]-3H-benzo[g][2]benzofuran-1-one (PubChem CID 134111717) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[1-(dimethylamino)-2-methylpropan-2-yl]-3H-benzo[g][2]benzofuran-1-one.

Molecular Properties

Compound Name3-[1-(dimethylamino)-2-methylpropan-2-yl]-3H-benzo[g][2]benzofuran-1-one
PubChem CID134111717
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name3-[1-(dimethylamino)-2-methylpropan-2-yl]-3H-benzo[g][2]benzofuran-1-one
SMILESCN(C)CC(C)(C)C1OC(=O)c2c1ccc1ccccc21
InChIInChI=1S/C18H21NO2/c1-18(2,11-19(3)4)16-14-10-9-12-7-5-6-8-13(12)15(14)17(20)21-16/h5-10,16H,11H2,1-4H3
InChIKeyUYVFKHYHUKPSJC-UHFFFAOYSA-N
XLogP3.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methyl-2-oxobutyl)-3H-benzo[g][2]benzofuran-1-one
CID 171545994
(3R)-3-methyl-2,3-dihydrocyclopenta[a]naphthalen-1-one
CID 163151559
(3S)-3-[1-(dimethylamino)-2-methylpropan-2-yl]-3,4-dihydroisochromen-1-one
CID 92840490
18-methoxy-12,27-dioxaheptacyclo[26.8.0.02,11.03,8.014,19.020,25.031,36]hexatriaconta-1(28),2(11),3,5,7,9,14(19),15,17,20,22,24,29,31,33,35-hexadecaene-13,26-dione
CID 10436769
4-tert-butyl-5-naphthalen-1-yl-5H-1,3-oxazol-2-one
CID 166071163
(3R)-3-methyl-2,3-dihydro-1H-phenanthren-4-one
CID 14940541
(3aR,11cS)-5-methyl-3-methylidene-3a,4,5,11c-tetrahydronaphtho[2,1-g][1]benzofuran-2-one
CID 158856851
13,13-ditert-butyl-12,14-dioxa-13-silapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 86213074
5,5-dibutyl-2-naphthalen-1-yl-1,3-dioxane-4,6-dione
CID 151375847
(2R,3S)-4-anthracen-9-yl-3-tert-butyl-2-methyl-2H-1,3-benzoxaphosphole
CID 172908374
(3S)-3-methoxy-2,3-dihydrocyclopenta[a]naphthalen-1-one
CID 139122410
3-methyl-3,4-dihydro-2H-benzo[h]chromen-4-amine
CID 43537547

Frequently Asked Questions

What is the IUPAC name of 3-[1-(dimethylamino)-2-methylpropan-2-yl]-3H-benzo[g][2]benzofuran-1-one?
The IUPAC name of 3-[1-(dimethylamino)-2-methylpropan-2-yl]-3H-benzo[g][2]benzofuran-1-one (CID 134111717) is 3-[1-(dimethylamino)-2-methylpropan-2-yl]-3H-benzo[g][2]benzofuran-1-one.
What is the SMILES notation for 3-[1-(dimethylamino)-2-methylpropan-2-yl]-3H-benzo[g][2]benzofuran-1-one?
The canonical SMILES for 3-[1-(dimethylamino)-2-methylpropan-2-yl]-3H-benzo[g][2]benzofuran-1-one is CN(C)CC(C)(C)C1OC(=O)c2c1ccc1ccccc21.
What is the InChIKey of 3-[1-(dimethylamino)-2-methylpropan-2-yl]-3H-benzo[g][2]benzofuran-1-one?
The InChIKey is UYVFKHYHUKPSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2/c1-18(2,11-19(3)4)16-14-10-9-12-7-5-6-8-13(12)15(14)17(20)21-16/h5-10,16H,11H2,1-4H3.
What are the key properties of 3-[1-(dimethylamino)-2-methylpropan-2-yl]-3H-benzo[g][2]benzofuran-1-one?
3-[1-(dimethylamino)-2-methylpropan-2-yl]-3H-benzo[g][2]benzofuran-1-one has a molecular weight of 283.37 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(dimethylamino)-2-methylpropan-2-yl]-3H-benzo[g][2]benzofuran-1-one is sourced from PubChem (CID 134111717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).