(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-(7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)methanone

C19H26N2O3 — CID 136567430

IUPAC(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-(7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)methanone
SMILESCN1CCC2(CC1)CCN2C(=O)c1ccc2c(c1O)OC(C)(C)C2
InChIInChI=1S/C19H26N2O3/c1-18(2)12-13-4-5-14(15(22)16(13)24-18)17(23)21-11-8-19(21)6-9-20(3)10-7-19/h4-5,22H,6-12H2,1-3H3
InChIKeyNZQIYQFQAMEWOZ-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.42
Rot. Bonds1

About (7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-(7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)methanone

(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-(7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)methanone (PubChem CID 136567430) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-(7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)methanone.

Molecular Properties

Compound Name(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-(7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)methanone
PubChem CID136567430
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-(7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)methanone
SMILESCN1CCC2(CC1)CCN2C(=O)c1ccc2c(c1O)OC(C)(C)C2
InChIInChI=1S/C19H26N2O3/c1-18(2)12-13-4-5-14(15(22)16(13)24-18)17(23)21-11-8-19(21)6-9-20(3)10-7-19/h4-5,22H,6-12H2,1-3H3
InChIKeyNZQIYQFQAMEWOZ-UHFFFAOYSA-N
XLogP2.42
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-[[ethyl(methyl)amino]methyl]pyrrolidin-1-yl]-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)methanone
CID 96570255
1-(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-carbonyl)-N-pyridin-2-ylpiperidine-4-carboxamide
CID 51135163
8-hydroxy-3,3-dimethyl-1-oxo-4H-isochromene-7-carboxylic acid
CID 57422163
2,2-dimethyl-5-nitro-3H-1-benzofuran-7-carboxylic acid
CID 86166269
(9-methyl-1,9-diazaspiro[4.6]undecan-1-yl)-(1-methylpyrrol-3-yl)methanone
CID 131679227
(4-benzhydrylpiperazin-1-yl)-(2,2-dimethyl-3H-1-benzofuran-7-yl)methanone
CID 2738415
3-(10-methyl-3-oxa-7,10-diazaspiro[5.6]dodecane-7-carbonyl)chromen-2-one
CID 167975912
1-(4-hydroxy-2,2-dimethyl-3H-1-benzofuran-7-yl)ethanone
CID 121003381
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]benzoic acid
CID 29275418
(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl carbamate
CID 54471045
(2,4-difluoro-3-methoxyphenyl)-(1,9-dimethyl-1,4,9-triazaspiro[5.5]undecan-4-yl)methanone
CID 56758942
1-(2,2-dimethyl-3H-furo[3,2-g][1]benzofuran-7-yl)-2-methylpropan-1-one
CID 65427828

Frequently Asked Questions

What is the IUPAC name of (7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-(7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)methanone?
The IUPAC name of (7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-(7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)methanone (CID 136567430) is (7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-(7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)methanone.
What is the SMILES notation for (7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-(7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)methanone?
The canonical SMILES for (7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-(7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)methanone is CN1CCC2(CC1)CCN2C(=O)c1ccc2c(c1O)OC(C)(C)C2.
What is the InChIKey of (7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-(7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)methanone?
The InChIKey is NZQIYQFQAMEWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-18(2)12-13-4-5-14(15(22)16(13)24-18)17(23)21-11-8-19(21)6-9-20(3)10-7-19/h4-5,22H,6-12H2,1-3H3.
What are the key properties of (7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-(7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)methanone?
(7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-(7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)methanone has a molecular weight of 330.43 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-hydroxy-2,2-dimethyl-3H-1-benzofuran-6-yl)-(7-methyl-1,7-diazaspiro[3.5]nonan-1-yl)methanone is sourced from PubChem (CID 136567430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).