(3-methyl-1-benzofuran-2-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone

C19H23NO3 — CID 99777498

IUPAC(3-methyl-1-benzofuran-2-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCc1c(C(=O)N2CCC3(CCOCC3)[C@@H]2C)oc2ccccc12
InChIInChI=1S/C19H23NO3/c1-13-15-5-3-4-6-16(15)23-17(13)18(21)20-10-7-19(14(20)2)8-11-22-12-9-19/h3-6,14H,7-12H2,1-2H3/t14-/m0/s1
InChIKeyZDBWYAQOFFOVEL-AWEZNQCLSA-N
MW313.40 g/mol
LogP3.77
Rot. Bonds1

About (3-methyl-1-benzofuran-2-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone

(3-methyl-1-benzofuran-2-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (PubChem CID 99777498) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is (3-methyl-1-benzofuran-2-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

Compound Name(3-methyl-1-benzofuran-2-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
PubChem CID99777498
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name(3-methyl-1-benzofuran-2-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone
SMILESCc1c(C(=O)N2CCC3(CCOCC3)[C@@H]2C)oc2ccccc12
InChIInChI=1S/C19H23NO3/c1-13-15-5-3-4-6-16(15)23-17(13)18(21)20-10-7-19(14(20)2)8-11-22-12-9-19/h3-6,14H,7-12H2,1-2H3/t14-/m0/s1
InChIKeyZDBWYAQOFFOVEL-AWEZNQCLSA-N
XLogP3.77
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diazabicyclo[3.2.2]nonan-4-yl-(3-methyl-1-benzofuran-2-yl)methanone
CID 68596839
1-[(3R)-3-methyl-4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 154870837
(3-methyl-1-benzofuran-2-yl)-piperidin-1-ylmethanone
CID 768762
1-[4-(3-methyl-1-benzofuran-2-carbonyl)piperazin-1-yl]ethanone
CID 24686604
3-methyl-1-benzofuran-2-carboxylic acid
CID 600591
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-methylpiperidin-1-yl]methanone
CID 888224
[4-methyl-2-[1-(3-methyl-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 110247617
[2-(aminomethyl)piperidin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 119469689
(3-methyl-1-benzofuran-2-yl)-[(3R)-3-(2-methyl-1,3-thiazol-4-yl)morpholin-4-yl]methanone
CID 97485782
[(4aS,7S,7aR)-7-methoxy-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 97365768
(4-hydroxy-4-methylazepan-1-yl)-(3-methyl-1-benzofuran-2-yl)methanone
CID 107406469
[4-hydroxy-2-(oxan-4-yl)-2,9-diazaspiro[5.5]undecan-9-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 171910424

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-benzofuran-2-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The IUPAC name of (3-methyl-1-benzofuran-2-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone (CID 99777498) is (3-methyl-1-benzofuran-2-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone.
What is the SMILES notation for (3-methyl-1-benzofuran-2-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The canonical SMILES for (3-methyl-1-benzofuran-2-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is Cc1c(C(=O)N2CCC3(CCOCC3)[C@@H]2C)oc2ccccc12.
What is the InChIKey of (3-methyl-1-benzofuran-2-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
The InChIKey is ZDBWYAQOFFOVEL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H23NO3/c1-13-15-5-3-4-6-16(15)23-17(13)18(21)20-10-7-19(14(20)2)8-11-22-12-9-19/h3-6,14H,7-12H2,1-2H3/t14-/m0/s1.
What are the key properties of (3-methyl-1-benzofuran-2-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone?
(3-methyl-1-benzofuran-2-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone has a molecular weight of 313.40 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-benzofuran-2-yl)-[(1S)-1-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 99777498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).