(2R,4R)-N-(2-bicyclo[2.2.1]heptanyl)-4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide

C30H35NO4 — CID 6669553

IUPAC(2R,4R)-N-(2-bicyclo[2.2.1]heptanyl)-4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NC1CC2CCC1C2)C1=C[C@H](c2cccc3c2Cc2ccccc2-3)C[C@H](OCCCCO)O1
InChIInChI=1S/C30H35NO4/c32-12-3-4-13-34-29-18-22(17-28(35-29)30(33)31-27-15-19-10-11-21(27)14-19)24-8-5-9-25-23-7-2-1-6-20(23)16-26(24)25/h1-2,5-9,17,19,21-22,27,29,32H,3-4,10-16,18H2,(H,31,33)/t19?,21?,22-,27?,29+/m0/s1
InChIKeyLCCFMBFISWVRJO-KEUWXPRQSA-N
MW473.61 g/mol
LogP5.07
Rot. Bonds8

About (2R,4R)-N-(2-bicyclo[2.2.1]heptanyl)-4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide

(2R,4R)-N-(2-bicyclo[2.2.1]heptanyl)-4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 6669553) has the molecular formula C30H35NO4 and a molecular weight of 473.61 g/mol. Its IUPAC name is (2R,4R)-N-(2-bicyclo[2.2.1]heptanyl)-4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2R,4R)-N-(2-bicyclo[2.2.1]heptanyl)-4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID6669553
Molecular FormulaC30H35NO4
Molecular Weight473.61 g/mol
Exact Mass473.26
IUPAC Name(2R,4R)-N-(2-bicyclo[2.2.1]heptanyl)-4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(NC1CC2CCC1C2)C1=C[C@H](c2cccc3c2Cc2ccccc2-3)C[C@H](OCCCCO)O1
InChIInChI=1S/C30H35NO4/c32-12-3-4-13-34-29-18-22(17-28(35-29)30(33)31-27-15-19-10-11-21(27)14-19)24-8-5-9-25-23-7-2-1-6-20(23)16-26(24)25/h1-2,5-9,17,19,21-22,27,29,32H,3-4,10-16,18H2,(H,31,33)/t19?,21?,22-,27?,29+/m0/s1
InChIKeyLCCFMBFISWVRJO-KEUWXPRQSA-N
XLogP5.07
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.61
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2R,4R)-N-(2-bicyclo[2.2.1]heptanyl)-4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-N-(2-bicyclo[2.2.1]heptanyl)-4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2R,4R)-N-(2-bicyclo[2.2.1]heptanyl)-4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide (CID 6669553) is (2R,4R)-N-(2-bicyclo[2.2.1]heptanyl)-4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2R,4R)-N-(2-bicyclo[2.2.1]heptanyl)-4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2R,4R)-N-(2-bicyclo[2.2.1]heptanyl)-4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide is O=C(NC1CC2CCC1C2)C1=C[C@H](c2cccc3c2Cc2ccccc2-3)C[C@H](OCCCCO)O1.
What is the InChIKey of (2R,4R)-N-(2-bicyclo[2.2.1]heptanyl)-4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is LCCFMBFISWVRJO-KEUWXPRQSA-N. The full InChI is InChI=1S/C30H35NO4/c32-12-3-4-13-34-29-18-22(17-28(35-29)30(33)31-27-15-19-10-11-21(27)14-19)24-8-5-9-25-23-7-2-1-6-20(23)16-26(24)25/h1-2,5-9,17,19,21-22,27,29,32H,3-4,10-16,18H2,(H,31,33)/t19?,21?,22-,27?,29+/m0/s1.
What are the key properties of (2R,4R)-N-(2-bicyclo[2.2.1]heptanyl)-4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide?
(2R,4R)-N-(2-bicyclo[2.2.1]heptanyl)-4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 473.61 g/mol, XLogP of 5.07, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-N-(2-bicyclo[2.2.1]heptanyl)-4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 6669553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).