(2R,3R)-3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide

C27H23NO7 — CID 97424575

IUPAC(2R,3R)-3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C27H23NO7/c1-31-16-10-8-15(9-11-16)28-26(29)25-22(18-13-12-17(32-2)14-21(18)33-3)23-24(35-25)19-6-4-5-7-20(19)34-27(23)30/h4-14,22,25H,1-3H3,(H,28,29)/t22-,25-/m1/s1
InChIKeyKCOOFAKNTJALDQ-RCZVLFRGSA-N
MW473.48 g/mol
LogP4.35
Rot. Bonds6

About (2R,3R)-3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide

(2R,3R)-3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide (PubChem CID 97424575) has the molecular formula C27H23NO7 and a molecular weight of 473.48 g/mol. Its IUPAC name is (2R,3R)-3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
PubChem CID97424575
Molecular FormulaC27H23NO7
Molecular Weight473.48 g/mol
Exact Mass473.15
IUPAC Name(2R,3R)-3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C27H23NO7/c1-31-16-10-8-15(9-11-16)28-26(29)25-22(18-13-12-17(32-2)14-21(18)33-3)23-24(35-25)19-6-4-5-7-20(19)34-27(23)30/h4-14,22,25H,1-3H3,(H,28,29)/t22-,25-/m1/s1
InChIKeyKCOOFAKNTJALDQ-RCZVLFRGSA-N
XLogP4.35
TPSA96.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.48
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97424428
(2R,3R)-N-(4-methoxyphenyl)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97423987
(2R,3R)-N-(4-methoxyphenyl)-4-oxo-3-(2,3,4-trifluorophenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97426759
(2R,3R)-3-(3-hydroxy-4-methoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97423917
(2S,3R)-3-(4-hydroxy-3-methoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97425099
(2S,3R)-3-(7-methoxy-1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97425420
3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 71826114
(2S,3R)-N-(4-methoxyphenyl)-4-oxo-3-(4-propan-2-ylphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97425547
(2R,3S)-3-[3-(2-amino-2-oxoethoxy)-4-methoxyphenyl]-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97424864
(2S,3S)-3-[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97424920
3-(4-hydroxy-3-methoxyphenyl)-N-(3-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 71826456
(2S,3R)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97424316

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
The IUPAC name of (2R,3R)-3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide (CID 97424575) is (2R,3R)-3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for (2R,3R)-3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
The canonical SMILES for (2R,3R)-3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide is COc1ccc(NC(=O)[C@@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(OC)cc2OC)cc1.
What is the InChIKey of (2R,3R)-3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
The InChIKey is KCOOFAKNTJALDQ-RCZVLFRGSA-N. The full InChI is InChI=1S/C27H23NO7/c1-31-16-10-8-15(9-11-16)28-26(29)25-22(18-13-12-17(32-2)14-21(18)33-3)23-24(35-25)19-6-4-5-7-20(19)34-27(23)30/h4-14,22,25H,1-3H3,(H,28,29)/t22-,25-/m1/s1.
What are the key properties of (2R,3R)-3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
(2R,3R)-3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide has a molecular weight of 473.48 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 97424575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).