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

C21H19NO4 — CID 97424848

IUPAC(2R,3S)-4-oxo-N-phenyl-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
SMILESCC(C)[C@H]1c2c(c3ccccc3oc2=O)O[C@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C21H19NO4/c1-12(2)16-17-18(14-10-6-7-11-15(14)25-21(17)24)26-19(16)20(23)22-13-8-4-3-5-9-13/h3-12,16,19H,1-2H3,(H,22,23)/t16-,19+/m0/s1
InChIKeySHHIFHSULVDDDY-QFBILLFUSA-N
MW349.39 g/mol
LogP3.93
Rot. Bonds3

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

(2R,3S)-4-oxo-N-phenyl-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide (PubChem CID 97424848) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is (2R,3S)-4-oxo-N-phenyl-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide.

Molecular Properties

Compound Name(2R,3S)-4-oxo-N-phenyl-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
PubChem CID97424848
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name(2R,3S)-4-oxo-N-phenyl-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
SMILESCC(C)[C@H]1c2c(c3ccccc3oc2=O)O[C@H]1C(=O)Nc1ccccc1
InChIInChI=1S/C21H19NO4/c1-12(2)16-17-18(14-10-6-7-11-15(14)25-21(17)24)26-19(16)20(23)22-13-8-4-3-5-9-13/h3-12,16,19H,1-2H3,(H,22,23)/t16-,19+/m0/s1
InChIKeySHHIFHSULVDDDY-QFBILLFUSA-N
XLogP3.93
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-N-(5-methyl-1,2-oxazol-3-yl)-4-oxo-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97424099
(2R,3R)-N-(4-methoxyphenyl)-4-oxo-3-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97423987
3-(1,3-benzodioxol-5-yl)-4-oxo-N-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 71827009
(2S,3R)-N-(4-methoxyphenyl)-4-oxo-3-(4-propan-2-ylphenyl)-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97425547
(2R,3R)-3-[4-(2-methylprop-2-enoxy)phenyl]-4-oxo-N-phenyl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97423872
(2R,3R)-3-(2,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97424575
(2S,3R)-3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97424428
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-(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
3-(4-hydroxy-3,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 71826114
(2S,3R)-3-(4-hydroxy-3-methoxyphenyl)-N-(4-methoxyphenyl)-4-oxo-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide
CID 97425099

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-oxo-N-phenyl-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
The IUPAC name of (2R,3S)-4-oxo-N-phenyl-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide (CID 97424848) is (2R,3S)-4-oxo-N-phenyl-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide.
What is the SMILES notation for (2R,3S)-4-oxo-N-phenyl-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
The canonical SMILES for (2R,3S)-4-oxo-N-phenyl-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide is CC(C)[C@H]1c2c(c3ccccc3oc2=O)O[C@H]1C(=O)Nc1ccccc1.
What is the InChIKey of (2R,3S)-4-oxo-N-phenyl-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
The InChIKey is SHHIFHSULVDDDY-QFBILLFUSA-N. The full InChI is InChI=1S/C21H19NO4/c1-12(2)16-17-18(14-10-6-7-11-15(14)25-21(17)24)26-19(16)20(23)22-13-8-4-3-5-9-13/h3-12,16,19H,1-2H3,(H,22,23)/t16-,19+/m0/s1.
What are the key properties of (2R,3S)-4-oxo-N-phenyl-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide?
(2R,3S)-4-oxo-N-phenyl-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-oxo-N-phenyl-3-propan-2-yl-2,3-dihydrofuro[3,2-c]chromene-2-carboxamide is sourced from PubChem (CID 97424848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).