3-[(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]chromen-4-one

C24H29NO7 — CID 6671488

IUPAC3-[(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]chromen-4-one
SMILESCCO[C@H]1OC(C(=O)N2CCOCC2)=C[C@@H](c2coc3ccccc3c2=O)[C@@H]1CCCO
InChIInChI=1S/C24H29NO7/c1-2-30-24-16(7-5-11-26)18(14-21(32-24)23(28)25-9-12-29-13-10-25)19-15-31-20-8-4-3-6-17(20)22(19)27/h3-4,6,8,14-16,18,24,26H,2,5,7,9-13H2,1H3/t16-,18+,24-/m0/s1
InChIKeyVPFJJEAGJAQMOX-GXYVPTEVSA-N
MW443.50 g/mol
LogP2.40
Rot. Bonds7

About 3-[(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]chromen-4-one

3-[(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]chromen-4-one (PubChem CID 6671488) has the molecular formula C24H29NO7 and a molecular weight of 443.50 g/mol. Its IUPAC name is 3-[(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]chromen-4-one.

Molecular Properties

Compound Name3-[(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]chromen-4-one
PubChem CID6671488
Molecular FormulaC24H29NO7
Molecular Weight443.50 g/mol
Exact Mass443.19
IUPAC Name3-[(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]chromen-4-one
SMILESCCO[C@H]1OC(C(=O)N2CCOCC2)=C[C@@H](c2coc3ccccc3c2=O)[C@@H]1CCCO
InChIInChI=1S/C24H29NO7/c1-2-30-24-16(7-5-11-26)18(14-21(32-24)23(28)25-9-12-29-13-10-25)19-15-31-20-8-4-3-6-17(20)22(19)27/h3-4,6,8,14-16,18,24,26H,2,5,7,9-13H2,1H3/t16-,18+,24-/m0/s1
InChIKeyVPFJJEAGJAQMOX-GXYVPTEVSA-N
XLogP2.40
TPSA98.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]chromen-4-one 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 3-[(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]chromen-4-one?
The IUPAC name of 3-[(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]chromen-4-one (CID 6671488) is 3-[(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]chromen-4-one.
What is the SMILES notation for 3-[(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]chromen-4-one?
The canonical SMILES for 3-[(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]chromen-4-one is CCO[C@H]1OC(C(=O)N2CCOCC2)=C[C@@H](c2coc3ccccc3c2=O)[C@@H]1CCCO.
What is the InChIKey of 3-[(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]chromen-4-one?
The InChIKey is VPFJJEAGJAQMOX-GXYVPTEVSA-N. The full InChI is InChI=1S/C24H29NO7/c1-2-30-24-16(7-5-11-26)18(14-21(32-24)23(28)25-9-12-29-13-10-25)19-15-31-20-8-4-3-6-17(20)22(19)27/h3-4,6,8,14-16,18,24,26H,2,5,7,9-13H2,1H3/t16-,18+,24-/m0/s1.
What are the key properties of 3-[(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]chromen-4-one?
3-[(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]chromen-4-one has a molecular weight of 443.50 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S,3S,4R)-2-ethoxy-3-(3-hydroxypropyl)-6-(morpholine-4-carbonyl)-3,4-dihydro-2H-pyran-4-yl]chromen-4-one is sourced from PubChem (CID 6671488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).