methyl 2-[(1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-2-carbonyl)amino]benzoate

C25H23NO6 — CID 22511287

IUPACmethyl 2-[(1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCC1)O3
InChIInChI=1S/C25H23NO6/c1-14-20-18(9-10-19-21(20)17(27)13-25(32-19)11-5-6-12-25)31-22(14)23(28)26-16-8-4-3-7-15(16)24(29)30-2/h3-4,7-10H,5-6,11-13H2,1-2H3,(H,26,28)
InChIKeyYTUYRHGDGCFTSP-UHFFFAOYSA-N
MW433.46 g/mol
LogP5.06
Rot. Bonds3

About methyl 2-[(1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-2-carbonyl)amino]benzoate

methyl 2-[(1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-2-carbonyl)amino]benzoate (PubChem CID 22511287) has the molecular formula C25H23NO6 and a molecular weight of 433.46 g/mol. Its IUPAC name is methyl 2-[(1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-2-carbonyl)amino]benzoate
PubChem CID22511287
Molecular FormulaC25H23NO6
Molecular Weight433.46 g/mol
Exact Mass433.15
IUPAC Namemethyl 2-[(1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCC1)O3
InChIInChI=1S/C25H23NO6/c1-14-20-18(9-10-19-21(20)17(27)13-25(32-19)11-5-6-12-25)31-22(14)23(28)26-16-8-4-3-7-15(16)24(29)30-2/h3-4,7-10H,5-6,11-13H2,1-2H3,(H,26,28)
InChIKeyYTUYRHGDGCFTSP-UHFFFAOYSA-N
XLogP5.06
TPSA94.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.46
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-2-carbonyl)amino]benzoate 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

1-methyl-N-(2-methylphenyl)-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 22511190
N-(2,4-difluorophenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 22511179
N-(4-fluoro-2-methylphenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-2-carboxamide
CID 22511390
N-(2-chlorophenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 22511239
N-[(2S)-butan-2-yl]-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 92703664
N-(5-chloro-2,4-dimethoxyphenyl)-1,4'-dimethyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 22511241
1-methyl-N-[2-(4-methylphenyl)ethyl]-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 22511200
(7S)-N-(2-chlorophenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 92669162
methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 974608
methyl 2-[(3-methyl-2-oxo-1-oxaspiro[4.5]dec-3-ene-4-carbonyl)amino]benzoate
CID 20861398
N-(1,3-benzodioxol-5-yl)-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 22553080
ethyl 1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxylate
CID 6623148

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-2-carbonyl)amino]benzoate (CID 22511287) is methyl 2-[(1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-2-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1oc2ccc3c(c2c1C)C(=O)CC1(CCCC1)O3.
What is the InChIKey of methyl 2-[(1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-2-carbonyl)amino]benzoate?
The InChIKey is YTUYRHGDGCFTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO6/c1-14-20-18(9-10-19-21(20)17(27)13-25(32-19)11-5-6-12-25)31-22(14)23(28)26-16-8-4-3-7-15(16)24(29)30-2/h3-4,7-10H,5-6,11-13H2,1-2H3,(H,26,28).
What are the key properties of methyl 2-[(1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-2-carbonyl)amino]benzoate?
methyl 2-[(1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-2-carbonyl)amino]benzoate has a molecular weight of 433.46 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-2-carbonyl)amino]benzoate is sourced from PubChem (CID 22511287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).