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

C28H25NO5 — CID 97425547

IUPAC(2S,3R)-N-(4-methoxyphenyl)-4-oxo-3-(4-propan-2-ylphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C28H25NO5/c1-16(2)17-8-10-18(11-9-17)23-24-25(21-6-4-5-7-22(21)33-28(24)31)34-26(23)27(30)29-19-12-14-20(32-3)15-13-19/h4-16,23,26H,1-3H3,(H,29,30)/t23-,26+/m1/s1
InChIKeyHSTTWAJZSLFSHX-BVAGGSTKSA-N
MW455.51 g/mol
LogP5.46
Rot. Bonds5

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

(2S,3R)-N-(4-methoxyphenyl)-4-oxo-3-(4-propan-2-ylphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide (PubChem CID 97425547) has the molecular formula C28H25NO5 and a molecular weight of 455.51 g/mol. Its IUPAC name is (2S,3R)-N-(4-methoxyphenyl)-4-oxo-3-(4-propan-2-ylphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-(4-methoxyphenyl)-4-oxo-3-(4-propan-2-ylphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
PubChem CID97425547
Molecular FormulaC28H25NO5
Molecular Weight455.51 g/mol
Exact Mass455.17
IUPAC Name(2S,3R)-N-(4-methoxyphenyl)-4-oxo-3-(4-propan-2-ylphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
SMILESCOc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C28H25NO5/c1-16(2)17-8-10-18(11-9-17)23-24-25(21-6-4-5-7-22(21)33-28(24)31)34-26(23)27(30)29-19-12-14-20(32-3)15-13-19/h4-16,23,26H,1-3H3,(H,29,30)/t23-,26+/m1/s1
InChIKeyHSTTWAJZSLFSHX-BVAGGSTKSA-N
XLogP5.46
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.51
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-N-(4-methoxyphenyl)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97423987
(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-(4-hydroxy-3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97424428
(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
(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-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97424575
(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,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
(2R,3R)-N-(4-methoxyphenyl)-4-oxo-3-(2,3,4-trifluorophenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97426759
(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
N-(4-chlorophenyl)-4-oxo-3-(3,4,5-trimethoxyphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 91973175

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-(4-methoxyphenyl)-4-oxo-3-(4-propan-2-ylphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
The IUPAC name of (2S,3R)-N-(4-methoxyphenyl)-4-oxo-3-(4-propan-2-ylphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide (CID 97425547) is (2S,3R)-N-(4-methoxyphenyl)-4-oxo-3-(4-propan-2-ylphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-(4-methoxyphenyl)-4-oxo-3-(4-propan-2-ylphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
The canonical SMILES for (2S,3R)-N-(4-methoxyphenyl)-4-oxo-3-(4-propan-2-ylphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide is COc1ccc(NC(=O)[C@H]2Oc3c(c(=O)oc4ccccc34)[C@H]2c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of (2S,3R)-N-(4-methoxyphenyl)-4-oxo-3-(4-propan-2-ylphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
The InChIKey is HSTTWAJZSLFSHX-BVAGGSTKSA-N. The full InChI is InChI=1S/C28H25NO5/c1-16(2)17-8-10-18(11-9-17)23-24-25(21-6-4-5-7-22(21)33-28(24)31)34-26(23)27(30)29-19-12-14-20(32-3)15-13-19/h4-16,23,26H,1-3H3,(H,29,30)/t23-,26+/m1/s1.
What are the key properties of (2S,3R)-N-(4-methoxyphenyl)-4-oxo-3-(4-propan-2-ylphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
(2S,3R)-N-(4-methoxyphenyl)-4-oxo-3-(4-propan-2-ylphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-(4-methoxyphenyl)-4-oxo-3-(4-propan-2-ylphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 97425547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).