(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(furan-2-carbonylamino)benzoate

C24H19NO6 — CID 7841115

IUPAC(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(furan-2-carbonylamino)benzoate
SMILESCc1ccc2c(COC(=O)c3ccccc3NC(=O)c3ccco3)cc(=O)oc2c1C
InChIInChI=1S/C24H19NO6/c1-14-9-10-17-16(12-21(26)31-22(17)15(14)2)13-30-24(28)18-6-3-4-7-19(18)25-23(27)20-8-5-11-29-20/h3-12H,13H2,1-2H3,(H,25,27)
InChIKeyCYXVSHHWTIUERL-UHFFFAOYSA-N
MW417.42 g/mol
LogP4.61
Rot. Bonds5

About (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(furan-2-carbonylamino)benzoate

(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(furan-2-carbonylamino)benzoate (PubChem CID 7841115) has the molecular formula C24H19NO6 and a molecular weight of 417.42 g/mol. Its IUPAC name is (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(furan-2-carbonylamino)benzoate.

Molecular Properties

Compound Name(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(furan-2-carbonylamino)benzoate
PubChem CID7841115
Molecular FormulaC24H19NO6
Molecular Weight417.42 g/mol
Exact Mass417.12
IUPAC Name(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(furan-2-carbonylamino)benzoate
SMILESCc1ccc2c(COC(=O)c3ccccc3NC(=O)c3ccco3)cc(=O)oc2c1C
InChIInChI=1S/C24H19NO6/c1-14-9-10-17-16(12-21(26)31-22(17)15(14)2)13-30-24(28)18-6-3-4-7-19(18)25-23(27)20-8-5-11-29-20/h3-12H,13H2,1-2H3,(H,25,27)
InChIKeyCYXVSHHWTIUERL-UHFFFAOYSA-N
XLogP4.61
TPSA98.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.42
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
CID 16534296
(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(2-phenoxyethoxy)benzoate
CID 4666775
(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-methyl-5-methylsulfonylbenzoate
CID 7849531
(7,8-dimethyl-2-oxochromen-4-yl)methyl pyridine-2-carboxylate
CID 2552705
(7,8-dimethyl-2-oxochromen-4-yl)methyl 4,5-dimethoxy-2-(2-methylpropanoylamino)benzoate
CID 41279511
2-[(7,8-dimethyl-2-oxochromen-4-yl)methylamino]-N-(furan-2-ylmethyl)benzamide
CID 9347174
(5-fluoro-2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)benzoate
CID 9139699
(7,8-dimethyl-2-oxochromen-4-yl)methyl (E)-3-(furan-2-yl)prop-2-enoate
CID 6311678
(7,8-dimethyl-2-oxochromen-4-yl)methyl (2R)-2-[(2-fluorobenzoyl)amino]-3-methylbutanoate
CID 51556586
(7,8-dimethyl-2-oxochromen-4-yl)methyl (3S)-2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 55937358
(7,8-dimethyl-2-oxochromen-4-yl)methyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 3890109
(7,8-dimethyl-2-oxochromen-4-yl)methyl 2,5-dimethyl-1-(4-methylphenyl)pyrrole-3-carboxylate
CID 3969443

Frequently Asked Questions

What is the IUPAC name of (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(furan-2-carbonylamino)benzoate?
The IUPAC name of (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(furan-2-carbonylamino)benzoate (CID 7841115) is (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(furan-2-carbonylamino)benzoate.
What is the SMILES notation for (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(furan-2-carbonylamino)benzoate?
The canonical SMILES for (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(furan-2-carbonylamino)benzoate is Cc1ccc2c(COC(=O)c3ccccc3NC(=O)c3ccco3)cc(=O)oc2c1C.
What is the InChIKey of (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(furan-2-carbonylamino)benzoate?
The InChIKey is CYXVSHHWTIUERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO6/c1-14-9-10-17-16(12-21(26)31-22(17)15(14)2)13-30-24(28)18-6-3-4-7-19(18)25-23(27)20-8-5-11-29-20/h3-12H,13H2,1-2H3,(H,25,27).
What are the key properties of (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(furan-2-carbonylamino)benzoate?
(7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(furan-2-carbonylamino)benzoate has a molecular weight of 417.42 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7,8-dimethyl-2-oxochromen-4-yl)methyl 2-(furan-2-carbonylamino)benzoate is sourced from PubChem (CID 7841115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).