8-[(4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C17H21N3O6 — CID 143626860

IUPAC8-[(4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOc1cc(OC)c2c(c1)C(NN1CCC3(CC1)CNC(=O)O3)OC2=O
InChIInChI=1S/C17H21N3O6/c1-23-10-7-11-13(12(8-10)24-2)15(21)25-14(11)19-20-5-3-17(4-6-20)9-18-16(22)26-17/h7-8,14,19H,3-6,9H2,1-2H3,(H,18,22)
InChIKeyVICXCOJDOSLFEN-UHFFFAOYSA-N
MW363.37 g/mol
LogP0.95
Rot. Bonds4

About 8-[(4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[(4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 143626860) has the molecular formula C17H21N3O6 and a molecular weight of 363.37 g/mol. Its IUPAC name is 8-[(4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[(4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID143626860
Molecular FormulaC17H21N3O6
Molecular Weight363.37 g/mol
Exact Mass363.14
IUPAC Name8-[(4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCOc1cc(OC)c2c(c1)C(NN1CCC3(CC1)CNC(=O)O3)OC2=O
InChIInChI=1S/C17H21N3O6/c1-23-10-7-11-13(12(8-10)24-2)15(21)25-14(11)19-20-5-3-17(4-6-20)9-18-16(22)26-17/h7-8,14,19H,3-6,9H2,1-2H3,(H,18,22)
InChIKeyVICXCOJDOSLFEN-UHFFFAOYSA-N
XLogP0.95
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.37
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 8-[(4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-5,7-dimethoxy-3H-2-benzofuran-1-one
CID 20571343
N-[2-(3,5-dimethoxyphenyl)ethyl]-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carboxamide
CID 119066807
8-[2-(3-methoxyphenyl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668843
3-[(1R)-4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]propanal
CID 11379691
8-[2-(4-methoxyphenyl)acetyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668791
methyl 4-[(1S)-4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-3,5-dimethoxybenzoate
CID 5324642
2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 154589259
3-decyl-5,7-dimethoxy-3H-2-benzofuran-1-one
CID 134864934
4-(aminomethyl)-6,8-dimethoxy-3,4-dihydro-2H-isoquinolin-1-one
CID 82129525
(5S)-5-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1,3-oxazolidin-2-one
CID 97054788
8-methoxy-1-oxa-3-azaspiro[4.5]decan-2-one
CID 112704509
butyl 5,7-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108726300

Frequently Asked Questions

What is the IUPAC name of 8-[(4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[(4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 143626860) is 8-[(4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[(4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[(4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is COc1cc(OC)c2c(c1)C(NN1CCC3(CC1)CNC(=O)O3)OC2=O.
What is the InChIKey of 8-[(4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is VICXCOJDOSLFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O6/c1-23-10-7-11-13(12(8-10)24-2)15(21)25-14(11)19-20-5-3-17(4-6-20)9-18-16(22)26-17/h7-8,14,19H,3-6,9H2,1-2H3,(H,18,22).
What are the key properties of 8-[(4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[(4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 363.37 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(4,6-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 143626860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).