2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide

C24H34N2O5 — CID 5017089

IUPAC2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCOC1OC(C(=O)NCCCN2CCCC2=O)=CC(c2ccccc2)C1CCCO
InChIInChI=1S/C24H34N2O5/c1-2-30-24-19(11-7-16-27)20(18-9-4-3-5-10-18)17-21(31-24)23(29)25-13-8-15-26-14-6-12-22(26)28/h3-5,9-10,17,19-20,24,27H,2,6-8,11-16H2,1H3,(H,25,29)
InChIKeyKUOQZIGTDRMBAQ-UHFFFAOYSA-N
MW430.55 g/mol
LogP2.56
Rot. Bonds11

About 2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide

2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 5017089) has the molecular formula C24H34N2O5 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound Name2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID5017089
Molecular FormulaC24H34N2O5
Molecular Weight430.55 g/mol
Exact Mass430.25
IUPAC Name2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCCOC1OC(C(=O)NCCCN2CCCC2=O)=CC(c2ccccc2)C1CCCO
InChIInChI=1S/C24H34N2O5/c1-2-30-24-19(11-7-16-27)20(18-9-4-3-5-10-18)17-21(31-24)23(29)25-13-8-15-26-14-6-12-22(26)28/h3-5,9-10,17,19-20,24,27H,2,6-8,11-16H2,1H3,(H,25,29)
InChIKeyKUOQZIGTDRMBAQ-UHFFFAOYSA-N
XLogP2.56
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of 2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide (CID 5017089) is 2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for 2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for 2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide is CCOC1OC(C(=O)NCCCN2CCCC2=O)=CC(c2ccccc2)C1CCCO.
What is the InChIKey of 2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is KUOQZIGTDRMBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O5/c1-2-30-24-19(11-7-16-27)20(18-9-4-3-5-10-18)17-21(31-24)23(29)25-13-8-15-26-14-6-12-22(26)28/h3-5,9-10,17,19-20,24,27H,2,6-8,11-16H2,1H3,(H,25,29).
What are the key properties of 2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide?
2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 430.55 g/mol, XLogP of 2.56, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(3-hydroxypropyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenyl-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 5017089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).