4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide

C29H29NO5 — CID 4215507

IUPAC4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(Nc1ccccc1O)C1=CC(c2cccc3c2Cc2ccccc2-3)CC(OCCCCO)O1
InChIInChI=1S/C29H29NO5/c31-14-5-6-15-34-28-18-20(17-27(35-28)29(33)30-25-12-3-4-13-26(25)32)22-10-7-11-23-21-9-2-1-8-19(21)16-24(22)23/h1-4,7-13,17,20,28,31-32H,5-6,14-16,18H2,(H,30,33)
InChIKeyCUYAONNUUWTAJV-UHFFFAOYSA-N
MW471.55 g/mol
LogP5.11
Rot. Bonds8

About 4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide

4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 4215507) has the molecular formula C29H29NO5 and a molecular weight of 471.55 g/mol. Its IUPAC name is 4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID4215507
Molecular FormulaC29H29NO5
Molecular Weight471.55 g/mol
Exact Mass471.20
IUPAC Name4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(Nc1ccccc1O)C1=CC(c2cccc3c2Cc2ccccc2-3)CC(OCCCCO)O1
InChIInChI=1S/C29H29NO5/c31-14-5-6-15-34-28-18-20(17-27(35-28)29(33)30-25-12-3-4-13-26(25)32)22-10-7-11-23-21-9-2-1-8-19(21)16-24(22)23/h1-4,7-13,17,20,28,31-32H,5-6,14-16,18H2,(H,30,33)
InChIKeyCUYAONNUUWTAJV-UHFFFAOYSA-N
XLogP5.11
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.55
LogP ≤ 55.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of 4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 4215507) is 4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for 4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for 4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide is O=C(Nc1ccccc1O)C1=CC(c2cccc3c2Cc2ccccc2-3)CC(OCCCCO)O1.
What is the InChIKey of 4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is CUYAONNUUWTAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29NO5/c31-14-5-6-15-34-28-18-20(17-27(35-28)29(33)30-25-12-3-4-13-26(25)32)22-10-7-11-23-21-9-2-1-8-19(21)16-24(22)23/h1-4,7-13,17,20,28,31-32H,5-6,14-16,18H2,(H,30,33).
What are the key properties of 4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide?
4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 471.55 g/mol, XLogP of 5.11, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9H-fluoren-1-yl)-2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 4215507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).