4-methyl-9-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C19H24N2O4 — CID 119073758

IUPAC4-methyl-9-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1Cc2cc(C(=O)N3CCC4(CC3)CN(C)C(=O)CO4)ccc2O1
InChIInChI=1S/C19H24N2O4/c1-13-9-15-10-14(3-4-16(15)25-13)18(23)21-7-5-19(6-8-21)12-20(2)17(22)11-24-19/h3-4,10,13H,5-9,11-12H2,1-2H3
InChIKeyDJBGESASDRXXEM-UHFFFAOYSA-N
MW344.41 g/mol
LogP1.47
Rot. Bonds1

About 4-methyl-9-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-methyl-9-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 119073758) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 4-methyl-9-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-methyl-9-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID119073758
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name4-methyl-9-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1Cc2cc(C(=O)N3CCC4(CC3)CN(C)C(=O)CO4)ccc2O1
InChIInChI=1S/C19H24N2O4/c1-13-9-15-10-14(3-4-16(15)25-13)18(23)21-7-5-19(6-8-21)12-20(2)17(22)11-24-19/h3-4,10,13H,5-9,11-12H2,1-2H3
InChIKeyDJBGESASDRXXEM-UHFFFAOYSA-N
XLogP1.47
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-methyl-5-(4-methyl-3-oxo-1-oxa-4,9-diazaspiro[5.5]undecane-9-carbonyl)phenyl]cyclopentanecarboxamide
CID 172661986
4-imidazol-1-yl-1-[(2R)-2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl]piperidine-4-carboxylic acid
CID 95871370
4-methyl-9-(1H-pyrazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 77089326
[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 126427595
4-methyl-9-(4,5,6,7-tetrahydro-2-benzothiophene-1-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 77088345
(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-carboxylate
CID 7106477
(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 66476480
3-(azepan-1-yl)-1-[(2S)-2-methyl-2,3-dihydro-1-benzofuran-5-yl]propan-1-one
CID 40544064
(1-methylcyclohexyl)-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanone
CID 106826587
9-(4-fluorobenzoyl)-4-(4-fluorophenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 155985994
2-methyl-N-[2-(2-oxopiperidin-1-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 91793022
9-[3-(1,3-benzodioxol-5-yl)propanoyl]-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 77081181

Frequently Asked Questions

What is the IUPAC name of 4-methyl-9-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-methyl-9-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 119073758) is 4-methyl-9-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-methyl-9-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-methyl-9-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC1Cc2cc(C(=O)N3CCC4(CC3)CN(C)C(=O)CO4)ccc2O1.
What is the InChIKey of 4-methyl-9-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is DJBGESASDRXXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13-9-15-10-14(3-4-16(15)25-13)18(23)21-7-5-19(6-8-21)12-20(2)17(22)11-24-19/h3-4,10,13H,5-9,11-12H2,1-2H3.
What are the key properties of 4-methyl-9-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-methyl-9-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 344.41 g/mol, XLogP of 1.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-9-(2-methyl-2,3-dihydro-1-benzofuran-5-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 119073758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).