(2S,4S)-4-(9H-fluoren-2-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide

C33H29NO4 — CID 44511140

IUPAC(2S,4S)-4-(9H-fluoren-2-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(Nc1ccccc1)C1=C[C@@H](c2ccc3c(c2)Cc2ccccc2-3)C[C@@H](OCc2ccc(CO)cc2)O1
InChIInChI=1S/C33H29NO4/c35-20-22-10-12-23(13-11-22)21-37-32-19-26(18-31(38-32)33(36)34-28-7-2-1-3-8-28)24-14-15-30-27(16-24)17-25-6-4-5-9-29(25)30/h1-16,18,26,32,35H,17,19-21H2,(H,34,36)/t26-,32+/m1/s1
InChIKeyQRFQBMMBUPCNSS-DICHSLLOSA-N
MW503.60 g/mol
LogP6.32
Rot. Bonds7

About (2S,4S)-4-(9H-fluoren-2-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide

(2S,4S)-4-(9H-fluoren-2-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 44511140) has the molecular formula C33H29NO4 and a molecular weight of 503.60 g/mol. Its IUPAC name is (2S,4S)-4-(9H-fluoren-2-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name(2S,4S)-4-(9H-fluoren-2-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID44511140
Molecular FormulaC33H29NO4
Molecular Weight503.60 g/mol
Exact Mass503.21
IUPAC Name(2S,4S)-4-(9H-fluoren-2-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESO=C(Nc1ccccc1)C1=C[C@@H](c2ccc3c(c2)Cc2ccccc2-3)C[C@@H](OCc2ccc(CO)cc2)O1
InChIInChI=1S/C33H29NO4/c35-20-22-10-12-23(13-11-22)21-37-32-19-26(18-31(38-32)33(36)34-28-7-2-1-3-8-28)24-14-15-30-27(16-24)17-25-6-4-5-9-29(25)30/h1-16,18,26,32,35H,17,19-21H2,(H,34,36)/t26-,32+/m1/s1
InChIKeyQRFQBMMBUPCNSS-DICHSLLOSA-N
XLogP6.32
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.60
LogP ≤ 56.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-(9H-fluoren-2-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of (2S,4S)-4-(9H-fluoren-2-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 44511140) is (2S,4S)-4-(9H-fluoren-2-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for (2S,4S)-4-(9H-fluoren-2-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for (2S,4S)-4-(9H-fluoren-2-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide is O=C(Nc1ccccc1)C1=C[C@@H](c2ccc3c(c2)Cc2ccccc2-3)C[C@@H](OCc2ccc(CO)cc2)O1.
What is the InChIKey of (2S,4S)-4-(9H-fluoren-2-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is QRFQBMMBUPCNSS-DICHSLLOSA-N. The full InChI is InChI=1S/C33H29NO4/c35-20-22-10-12-23(13-11-22)21-37-32-19-26(18-31(38-32)33(36)34-28-7-2-1-3-8-28)24-14-15-30-27(16-24)17-25-6-4-5-9-29(25)30/h1-16,18,26,32,35H,17,19-21H2,(H,34,36)/t26-,32+/m1/s1.
What are the key properties of (2S,4S)-4-(9H-fluoren-2-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
(2S,4S)-4-(9H-fluoren-2-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 503.60 g/mol, XLogP of 6.32, 7 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-(hydroxymethyl)phenyl]methoxy]-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 44511140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).