N-(1,3-benzodioxol-5-yl)-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide

C22H19NO6 — CID 22553080

IUPACN-(1,3-benzodioxol-5-yl)-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccc3c(c12)C(=O)CC(C)(C)O3
InChIInChI=1S/C22H19NO6/c1-11-18-15(6-7-16-19(18)13(24)9-22(2,3)29-16)28-20(11)21(25)23-12-4-5-14-17(8-12)27-10-26-14/h4-8H,9-10H2,1-3H3,(H,23,25)
InChIKeyNUHOEGXNWAVWMP-UHFFFAOYSA-N
MW393.40 g/mol
LogP4.47
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide

N-(1,3-benzodioxol-5-yl)-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide (PubChem CID 22553080) has the molecular formula C22H19NO6 and a molecular weight of 393.40 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
PubChem CID22553080
Molecular FormulaC22H19NO6
Molecular Weight393.40 g/mol
Exact Mass393.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccc3c(c12)C(=O)CC(C)(C)O3
InChIInChI=1S/C22H19NO6/c1-11-18-15(6-7-16-19(18)13(24)9-22(2,3)29-16)28-20(11)21(25)23-12-4-5-14-17(8-12)27-10-26-14/h4-8H,9-10H2,1-3H3,(H,23,25)
InChIKeyNUHOEGXNWAVWMP-UHFFFAOYSA-N
XLogP4.47
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1,3-benzodioxol-5-yl)-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide with MolForge

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Related Compounds

N-cyclopentyl-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 20886050
(7R)-7-(4-fluorophenyl)-1,7-dimethyl-N-(4-methylphenyl)-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 92669200
ethyl 1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxylate
CID 6623148
N-(1,3-benzodioxol-5-yl)-5-bromo-3-methyl-1-benzofuran-2-carboxamide
CID 2470869
N-(1,3-benzodioxol-5-ylmethyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cycloheptane]-2-carboxamide
CID 22511366
N-(1,3-benzodioxol-5-yl)-3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxamide
CID 36676045
1,7,7-trimethyl-9-oxo-N-(pyridin-2-ylmethyl)-8H-furo[3,2-f]chromene-2-carboxamide
CID 20886081
(4Z)-N-(1,3-benzodioxol-5-yl)-4-(carbamoylhydrazinylidene)-3,6,6-trimethyl-5,7-dihydro-1-benzofuran-2-carboxamide
CID 18835732
(7S)-N-(2-chlorophenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide
CID 92669162
N-(2,4-difluorophenyl)-1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclohexane]-2-carboxamide
CID 22511179
methyl 2-[(1-methyl-9-oxospiro[8H-furo[3,2-f]chromene-7,1'-cyclopentane]-2-carbonyl)amino]benzoate
CID 22511287
N-(1,3-benzodioxol-5-yl)-3-hydroxy-2-methylbenzamide
CID 82786917

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide (CID 22553080) is N-(1,3-benzodioxol-5-yl)-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide is Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccc3c(c12)C(=O)CC(C)(C)O3.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?
The InChIKey is NUHOEGXNWAVWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO6/c1-11-18-15(6-7-16-19(18)13(24)9-22(2,3)29-16)28-20(11)21(25)23-12-4-5-14-17(8-12)27-10-26-14/h4-8H,9-10H2,1-3H3,(H,23,25).
What are the key properties of N-(1,3-benzodioxol-5-yl)-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide?
N-(1,3-benzodioxol-5-yl)-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide has a molecular weight of 393.40 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-1,7,7-trimethyl-9-oxo-8H-furo[3,2-f]chromene-2-carboxamide is sourced from PubChem (CID 22553080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).