N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide

C22H21NO3 — CID 139012584

IUPACN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide
SMILESCc1oc(-c2ccccc2)c(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1C
InChIInChI=1S/C22H21NO3/c1-13-14(2)26-21(15-8-4-3-5-9-15)19(13)22(25)23-20-17-11-7-6-10-16(17)12-18(20)24/h3-11,18,20,24H,12H2,1-2H3,(H,23,25)/t18-,20+/m0/s1
InChIKeyIWUUZRDMXSRGNK-AZUAARDMSA-N
MW347.41 g/mol
LogP3.95
Rot. Bonds3

About N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide (PubChem CID 139012584) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide
PubChem CID139012584
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide
SMILESCc1oc(-c2ccccc2)c(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1C
InChIInChI=1S/C22H21NO3/c1-13-14(2)26-21(15-8-4-3-5-9-15)19(13)22(25)23-20-17-11-7-6-10-16(17)12-18(20)24/h3-11,18,20,24H,12H2,1-2H3,(H,23,25)/t18-,20+/m0/s1
InChIKeyIWUUZRDMXSRGNK-AZUAARDMSA-N
XLogP3.95
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 139007457
2,6-difluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816872
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylbenzamide
CID 103625677
4-acetyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 110906536
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 110903496
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylbenzamide
CID 103816856
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 61367776
4-fluoro-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-methylbenzamide
CID 103816885
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-phenylpyrimidine-5-carboxamide
CID 111658856
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxamide
CID 104629828
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiadiazole-5-carboxamide
CID 102739009
4-chloro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 115694749

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide?
The IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide (CID 139012584) is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide is Cc1oc(-c2ccccc2)c(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1C.
What is the InChIKey of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide?
The InChIKey is IWUUZRDMXSRGNK-AZUAARDMSA-N. The full InChI is InChI=1S/C22H21NO3/c1-13-14(2)26-21(15-8-4-3-5-9-15)19(13)22(25)23-20-17-11-7-6-10-16(17)12-18(20)24/h3-11,18,20,24H,12H2,1-2H3,(H,23,25)/t18-,20+/m0/s1.
What are the key properties of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide?
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide has a molecular weight of 347.41 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4,5-dimethyl-2-phenylfuran-3-carboxamide is sourced from PubChem (CID 139012584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).