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

C30H31NO5 — CID 5218857

IUPAC2-ethoxy-4-(9H-fluoren-1-yl)-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCOC1OC(C(=O)Nc2ccccc2O)=CC(c2cccc3c2Cc2ccccc2-3)C1CCCO
InChIInChI=1S/C30H31NO5/c1-2-35-30-23(13-8-16-32)25(18-28(36-30)29(34)31-26-14-5-6-15-27(26)33)22-12-7-11-21-20-10-4-3-9-19(20)17-24(21)22/h3-7,9-12,14-15,18,23,25,30,32-33H,2,8,13,16-17H2,1H3,(H,31,34)
InChIKeyVOVXATPLXABVSC-UHFFFAOYSA-N
MW485.58 g/mol
LogP5.35
Rot. Bonds8

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

2-ethoxy-4-(9H-fluoren-1-yl)-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 5218857) has the molecular formula C30H31NO5 and a molecular weight of 485.58 g/mol. Its IUPAC name is 2-ethoxy-4-(9H-fluoren-1-yl)-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name2-ethoxy-4-(9H-fluoren-1-yl)-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID5218857
Molecular FormulaC30H31NO5
Molecular Weight485.58 g/mol
Exact Mass485.22
IUPAC Name2-ethoxy-4-(9H-fluoren-1-yl)-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCOC1OC(C(=O)Nc2ccccc2O)=CC(c2cccc3c2Cc2ccccc2-3)C1CCCO
InChIInChI=1S/C30H31NO5/c1-2-35-30-23(13-8-16-32)25(18-28(36-30)29(34)31-26-14-5-6-15-27(26)33)22-12-7-11-21-20-10-4-3-9-19(20)17-24(21)22/h3-7,9-12,14-15,18,23,25,30,32-33H,2,8,13,16-17H2,1H3,(H,31,34)
InChIKeyVOVXATPLXABVSC-UHFFFAOYSA-N
XLogP5.35
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.58
LogP ≤ 55.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-4-(9H-fluoren-2-yl)-2-(4-hydroxybutoxy)-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 44511188
(2R,4R)-4-(9H-fluoren-2-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 44511147
(2S,4S)-4-(9H-fluoren-2-yl)-2-[[4-(hydroxymethyl)phenyl]methoxy]-N-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 44511140
(2R,4S)-2-ethoxy-4-(9H-fluoren-2-yl)-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 58817277
(4S)-2-ethoxy-4-(9H-fluoren-2-yl)-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 59686752
2-ethoxy-4-(9H-fluoren-2-yl)-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 71121927
(2S,3S)-2-ethoxy-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-4-[4-(1-methoxyethenyl)phenyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 89291119
2-ethoxy-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 3344736
2-[[4-(hydroxymethyl)phenyl]methoxy]-N-(2-hydroxyphenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran-6-carboxamide
CID 3480925
methyl 4-[2-[[4-(hydroxymethyl)phenyl]methoxy]-6-[(2-hydroxyphenyl)carbamoyl]-3,4-dihydro-2H-pyran-4-yl]benzoate
CID 3666918
2-(4-hydroxybutoxy)-N-(2-hydroxyphenyl)-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 4069046
N-(2-aminophenyl)-2-ethoxy-4-(9H-fluoren-1-yl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 4086892

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(9H-fluoren-1-yl)-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of 2-ethoxy-4-(9H-fluoren-1-yl)-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide (CID 5218857) is 2-ethoxy-4-(9H-fluoren-1-yl)-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for 2-ethoxy-4-(9H-fluoren-1-yl)-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for 2-ethoxy-4-(9H-fluoren-1-yl)-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide is CCOC1OC(C(=O)Nc2ccccc2O)=CC(c2cccc3c2Cc2ccccc2-3)C1CCCO.
What is the InChIKey of 2-ethoxy-4-(9H-fluoren-1-yl)-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is VOVXATPLXABVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31NO5/c1-2-35-30-23(13-8-16-32)25(18-28(36-30)29(34)31-26-14-5-6-15-27(26)33)22-12-7-11-21-20-10-4-3-9-19(20)17-24(21)22/h3-7,9-12,14-15,18,23,25,30,32-33H,2,8,13,16-17H2,1H3,(H,31,34).
What are the key properties of 2-ethoxy-4-(9H-fluoren-1-yl)-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide?
2-ethoxy-4-(9H-fluoren-1-yl)-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 485.58 g/mol, XLogP of 5.35, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(9H-fluoren-1-yl)-N-(2-hydroxyphenyl)-3-(3-hydroxypropyl)-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 5218857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).