N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-2H-chromene-3-carboxamide

C20H19NO4 — CID 166186910

IUPACN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C=C(C(=O)N[C@@H]1c3ccccc3C[C@@H]1O)CO2
InChIInChI=1S/C20H19NO4/c1-24-15-6-7-18-13(9-15)8-14(11-25-18)20(23)21-19-16-5-3-2-4-12(16)10-17(19)22/h2-9,17,19,22H,10-11H2,1H3,(H,21,23)/t17-,19+/m0/s1
InChIKeySMLVJGOSNSPVBC-PKOBYXMFSA-N
MW337.38 g/mol
LogP2.25
Rot. Bonds3

About N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-2H-chromene-3-carboxamide

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-2H-chromene-3-carboxamide (PubChem CID 166186910) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-2H-chromene-3-carboxamide
PubChem CID166186910
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-2H-chromene-3-carboxamide
SMILESCOc1ccc2c(c1)C=C(C(=O)N[C@@H]1c3ccccc3C[C@@H]1O)CO2
InChIInChI=1S/C20H19NO4/c1-24-15-6-7-18-13(9-15)8-14(11-25-18)20(23)21-19-16-5-3-2-4-12(16)10-17(19)22/h2-9,17,19,22H,10-11H2,1H3,(H,21,23)/t17-,19+/m0/s1
InChIKeySMLVJGOSNSPVBC-PKOBYXMFSA-N
XLogP2.25
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-2H-chromene-3-carboxamide with MolForge

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-6-methoxy-2H-chromene-3-carboxamide
CID 119456581
N-[(4-hydroxypyrrolidin-3-yl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 120947707
N-(2,6-dimethylphenyl)-6-methoxy-2H-chromene-3-carboxamide
CID 22578350
6-methoxy-N-(2-methylpiperidin-3-yl)-2H-chromene-3-carboxamide
CID 120574761
N-[2-(aminomethyl)cyclopentyl]-6-methoxy-2H-chromene-3-carboxamide
CID 119602105
N-(3-chlorophenyl)-6-methoxy-2H-chromene-3-carboxamide
CID 1478813
N-[(2R)-2-(ethylamino)propyl]-6-methoxy-2H-chromene-3-carboxamide
CID 120654267
N-[(3-fluorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 22578403
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methoxythiophene-2-carboxamide
CID 96526031
N-[(4-chlorophenyl)methyl]-6-methoxy-2H-chromene-3-carboxamide
CID 1478817
4-methoxy-N-(2-methyl-2,3-dihydro-1H-inden-1-yl)benzamide
CID 5152197
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-(6-methoxy-1H-indol-3-yl)acetamide
CID 171674164

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-2H-chromene-3-carboxamide?
The IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-2H-chromene-3-carboxamide (CID 166186910) is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-2H-chromene-3-carboxamide is COc1ccc2c(c1)C=C(C(=O)N[C@@H]1c3ccccc3C[C@@H]1O)CO2.
What is the InChIKey of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-2H-chromene-3-carboxamide?
The InChIKey is SMLVJGOSNSPVBC-PKOBYXMFSA-N. The full InChI is InChI=1S/C20H19NO4/c1-24-15-6-7-18-13(9-15)8-14(11-25-18)20(23)21-19-16-5-3-2-4-12(16)10-17(19)22/h2-9,17,19,22H,10-11H2,1H3,(H,21,23)/t17-,19+/m0/s1.
What are the key properties of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-2H-chromene-3-carboxamide?
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-2H-chromene-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methoxy-2H-chromene-3-carboxamide is sourced from PubChem (CID 166186910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).