3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide

C27H23NO8 — CID 71826114

IUPAC3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
SMILESCOc1cccc(NC(=O)C2Oc3c(c(=O)oc4ccccc34)C2c2cc(OC)c(O)c(OC)c2)c1
InChIInChI=1S/C27H23NO8/c1-32-16-8-6-7-15(13-16)28-26(30)25-21(14-11-19(33-2)23(29)20(12-14)34-3)22-24(36-25)17-9-4-5-10-18(17)35-27(22)31/h4-13,21,25,29H,1-3H3,(H,28,30)
InChIKeyAOTHYVSNRNGVRF-UHFFFAOYSA-N
MW489.48 g/mol
LogP4.06
Rot. Bonds6

About 3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide

3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide (PubChem CID 71826114) has the molecular formula C27H23NO8 and a molecular weight of 489.48 g/mol. Its IUPAC name is 3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound Name3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
PubChem CID71826114
Molecular FormulaC27H23NO8
Molecular Weight489.48 g/mol
Exact Mass489.14
IUPAC Name3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
SMILESCOc1cccc(NC(=O)C2Oc3c(c(=O)oc4ccccc34)C2c2cc(OC)c(O)c(OC)c2)c1
InChIInChI=1S/C27H23NO8/c1-32-16-8-6-7-15(13-16)28-26(30)25-21(14-11-19(33-2)23(29)20(12-14)34-3)22-24(36-25)17-9-4-5-10-18(17)35-27(22)31/h4-13,21,25,29H,1-3H3,(H,28,30)
InChIKeyAOTHYVSNRNGVRF-UHFFFAOYSA-N
XLogP4.06
TPSA116.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.48
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hydroxy-3-methoxyphenyl)-N-(3-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 71826456
(2S,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97424428
(2S,3R)-3-(4-hydroxy-3-methoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97425099
(2S,3S)-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97425258
(2R,3R)-3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97424575
(2R,3R)-3-(3-hydroxy-4-methoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97423917
N-(4-chlorophenyl)-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 91973175
(2R,3R)-N-(4-methoxyphenyl)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97423987
(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
(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
(2R,3R)-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97424318

Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
The IUPAC name of 3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide (CID 71826114) is 3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for 3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
The canonical SMILES for 3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide is COc1cccc(NC(=O)C2Oc3c(c(=O)oc4ccccc34)C2c2cc(OC)c(O)c(OC)c2)c1.
What is the InChIKey of 3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
The InChIKey is AOTHYVSNRNGVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO8/c1-32-16-8-6-7-15(13-16)28-26(30)25-21(14-11-19(33-2)23(29)20(12-14)34-3)22-24(36-25)17-9-4-5-10-18(17)35-27(22)31/h4-13,21,25,29H,1-3H3,(H,28,30).
What are the key properties of 3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide has a molecular weight of 489.48 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 71826114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).