(2R,4R)-4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide

C30H30FNO5 — CID 6668440

IUPAC(2R,4R)-4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1=C[C@H](c2cccc3c2Cc2ccccc2-3)C[C@H](OCCOCCO)O1
InChIInChI=1S/C30H30FNO5/c31-23-10-8-20(9-11-23)19-32-30(34)28-17-22(18-29(37-28)36-15-14-35-13-12-33)25-6-3-7-26-24-5-2-1-4-21(24)16-27(25)26/h1-11,17,22,29,33H,12-16,18-19H2,(H,32,34)/t22-,29+/m0/s1
InChIKeyUEYONTRFGKKFQW-PZGXJGMVSA-N
MW503.57 g/mol
LogP4.45
Rot. Bonds10

About (2R,4R)-4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide

(2R,4R)-4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 6668440) has the molecular formula C30H30FNO5 and a molecular weight of 503.57 g/mol. Its IUPAC name is (2R,4R)-4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2R,4R)-4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID6668440
Molecular FormulaC30H30FNO5
Molecular Weight503.57 g/mol
Exact Mass503.21
IUPAC Name(2R,4R)-4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NCc1ccc(F)cc1)C1=C[C@H](c2cccc3c2Cc2ccccc2-3)C[C@H](OCCOCCO)O1
InChIInChI=1S/C30H30FNO5/c31-23-10-8-20(9-11-23)19-32-30(34)28-17-22(18-29(37-28)36-15-14-35-13-12-33)25-6-3-7-26-24-5-2-1-4-21(24)16-27(25)26/h1-11,17,22,29,33H,12-16,18-19H2,(H,32,34)/t22-,29+/m0/s1
InChIKeyUEYONTRFGKKFQW-PZGXJGMVSA-N
XLogP4.45
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500503.57
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2R,4R)-4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide (CID 6668440) is (2R,4R)-4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2R,4R)-4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2R,4R)-4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide is O=C(NCc1ccc(F)cc1)C1=C[C@H](c2cccc3c2Cc2ccccc2-3)C[C@H](OCCOCCO)O1.
What is the InChIKey of (2R,4R)-4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is UEYONTRFGKKFQW-PZGXJGMVSA-N. The full InChI is InChI=1S/C30H30FNO5/c31-23-10-8-20(9-11-23)19-32-30(34)28-17-22(18-29(37-28)36-15-14-35-13-12-33)25-6-3-7-26-24-5-2-1-4-21(24)16-27(25)26/h1-11,17,22,29,33H,12-16,18-19H2,(H,32,34)/t22-,29+/m0/s1.
What are the key properties of (2R,4R)-4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide?
(2R,4R)-4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 503.57 g/mol, XLogP of 4.45, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-(9H-fluoren-1-yl)-N-[(4-fluorophenyl)methyl]-2-[2-(2-hydroxyethoxy)ethoxy]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 6668440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).