N-[(1S)-1-(4-fluorophenyl)-3-[(2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-2-oxopropyl]oxane-4-carboxamide

C25H28FNO4 — CID 161341798

IUPACN-[(1S)-1-(4-fluorophenyl)-3-[(2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-2-oxopropyl]oxane-4-carboxamide
SMILESCOC1c2ccccc2C[C@@H]1CC(=O)[C@@H](NC(=O)C1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C25H28FNO4/c1-30-24-19(14-18-4-2-3-5-21(18)24)15-22(28)23(16-6-8-20(26)9-7-16)27-25(29)17-10-12-31-13-11-17/h2-9,17,19,23-24H,10-15H2,1H3,(H,27,29)/t19-,23+,24?/m1/s1
InChIKeyVMTNENUVESDFJJ-DHFLCVKNSA-N
MW425.50 g/mol
LogP3.93
Rot. Bonds7

About N-[(1S)-1-(4-fluorophenyl)-3-[(2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-2-oxopropyl]oxane-4-carboxamide

N-[(1S)-1-(4-fluorophenyl)-3-[(2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-2-oxopropyl]oxane-4-carboxamide (PubChem CID 161341798) has the molecular formula C25H28FNO4 and a molecular weight of 425.50 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)-3-[(2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-2-oxopropyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)-3-[(2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-2-oxopropyl]oxane-4-carboxamide
PubChem CID161341798
Molecular FormulaC25H28FNO4
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC NameN-[(1S)-1-(4-fluorophenyl)-3-[(2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-2-oxopropyl]oxane-4-carboxamide
SMILESCOC1c2ccccc2C[C@@H]1CC(=O)[C@@H](NC(=O)C1CCOCC1)c1ccc(F)cc1
InChIInChI=1S/C25H28FNO4/c1-30-24-19(14-18-4-2-3-5-21(18)24)15-22(28)23(16-6-8-20(26)9-7-16)27-25(29)17-10-12-31-13-11-17/h2-9,17,19,23-24H,10-15H2,1H3,(H,27,29)/t19-,23+,24?/m1/s1
InChIKeyVMTNENUVESDFJJ-DHFLCVKNSA-N
XLogP3.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)-3-[(2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-2-oxopropyl]oxane-4-carboxamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)-3-[(2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-2-oxopropyl]oxane-4-carboxamide (CID 161341798) is N-[(1S)-1-(4-fluorophenyl)-3-[(2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-2-oxopropyl]oxane-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)-3-[(2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-2-oxopropyl]oxane-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)-3-[(2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-2-oxopropyl]oxane-4-carboxamide is COC1c2ccccc2C[C@@H]1CC(=O)[C@@H](NC(=O)C1CCOCC1)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)-3-[(2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-2-oxopropyl]oxane-4-carboxamide?
The InChIKey is VMTNENUVESDFJJ-DHFLCVKNSA-N. The full InChI is InChI=1S/C25H28FNO4/c1-30-24-19(14-18-4-2-3-5-21(18)24)15-22(28)23(16-6-8-20(26)9-7-16)27-25(29)17-10-12-31-13-11-17/h2-9,17,19,23-24H,10-15H2,1H3,(H,27,29)/t19-,23+,24?/m1/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)-3-[(2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-2-oxopropyl]oxane-4-carboxamide?
N-[(1S)-1-(4-fluorophenyl)-3-[(2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-2-oxopropyl]oxane-4-carboxamide has a molecular weight of 425.50 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)-3-[(2R)-1-methoxy-2,3-dihydro-1H-inden-2-yl]-2-oxopropyl]oxane-4-carboxamide is sourced from PubChem (CID 161341798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).