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

C29H29NO4 — CID 44511188

IUPAC(2S,4S)-4-(9H-fluoren-2-yl)-2-(4-hydroxybutoxy)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(Nc1ccccc1)C1=C[C@@H](c2ccc3c(c2)Cc2ccccc2-3)C[C@@H](OCCCCO)O1
InChIInChI=1S/C29H29NO4/c31-14-6-7-15-33-28-19-22(18-27(34-28)29(32)30-24-9-2-1-3-10-24)20-12-13-26-23(16-20)17-21-8-4-5-11-25(21)26/h1-5,8-13,16,18,22,28,31H,6-7,14-15,17,19H2,(H,30,32)/t22-,28+/m1/s1
InChIKeyPEKTYEVDMAYTKC-DFHRPNOPSA-N
MW455.55 g/mol
LogP5.40
Rot. Bonds8

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

(2S,4S)-4-(9H-fluoren-2-yl)-2-(4-hydroxybutoxy)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 44511188) has the molecular formula C29H29NO4 and a molecular weight of 455.55 g/mol. Its IUPAC name is (2S,4S)-4-(9H-fluoren-2-yl)-2-(4-hydroxybutoxy)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-(9H-fluoren-2-yl)-2-(4-hydroxybutoxy)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID44511188
Molecular FormulaC29H29NO4
Molecular Weight455.55 g/mol
Exact Mass455.21
IUPAC Name(2S,4S)-4-(9H-fluoren-2-yl)-2-(4-hydroxybutoxy)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(Nc1ccccc1)C1=C[C@@H](c2ccc3c(c2)Cc2ccccc2-3)C[C@@H](OCCCCO)O1
InChIInChI=1S/C29H29NO4/c31-14-6-7-15-33-28-19-22(18-27(34-28)29(32)30-24-9-2-1-3-10-24)20-12-13-26-23(16-20)17-21-8-4-5-11-25(21)26/h1-5,8-13,16,18,22,28,31H,6-7,14-15,17,19H2,(H,30,32)/t22-,28+/m1/s1
InChIKeyPEKTYEVDMAYTKC-DFHRPNOPSA-N
XLogP5.40
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.55
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2S,4S)-4-(9H-fluoren-2-yl)-2-(4-hydroxybutoxy)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(9H-fluoren-2-yl)-2-(4-hydroxybutoxy)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2S,4S)-4-(9H-fluoren-2-yl)-2-(4-hydroxybutoxy)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 44511188) is (2S,4S)-4-(9H-fluoren-2-yl)-2-(4-hydroxybutoxy)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2S,4S)-4-(9H-fluoren-2-yl)-2-(4-hydroxybutoxy)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2S,4S)-4-(9H-fluoren-2-yl)-2-(4-hydroxybutoxy)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide is O=C(Nc1ccccc1)C1=C[C@@H](c2ccc3c(c2)Cc2ccccc2-3)C[C@@H](OCCCCO)O1.
What is the InChIKey of (2S,4S)-4-(9H-fluoren-2-yl)-2-(4-hydroxybutoxy)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is PEKTYEVDMAYTKC-DFHRPNOPSA-N. The full InChI is InChI=1S/C29H29NO4/c31-14-6-7-15-33-28-19-22(18-27(34-28)29(32)30-24-9-2-1-3-10-24)20-12-13-26-23(16-20)17-21-8-4-5-11-25(21)26/h1-5,8-13,16,18,22,28,31H,6-7,14-15,17,19H2,(H,30,32)/t22-,28+/m1/s1.
What are the key properties of (2S,4S)-4-(9H-fluoren-2-yl)-2-(4-hydroxybutoxy)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
(2S,4S)-4-(9H-fluoren-2-yl)-2-(4-hydroxybutoxy)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 455.55 g/mol, XLogP of 5.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-(9H-fluoren-2-yl)-2-(4-hydroxybutoxy)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 44511188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).