2-[6-hydroxy-5-[(propan-2-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-1-morpholin-4-ylethanone

C16H28N2O5 — CID 162792883

IUPAC2-[6-hydroxy-5-[(propan-2-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-1-morpholin-4-ylethanone
SMILESCC(C)NCC1OC2CC(CC(=O)N3CCOCC3)OC2C1O
InChIInChI=1S/C16H28N2O5/c1-10(2)17-9-13-15(20)16-12(23-13)7-11(22-16)8-14(19)18-3-5-21-6-4-18/h10-13,15-17,20H,3-9H2,1-2H3
InChIKeyHXDIXAGYTHXFBO-UHFFFAOYSA-N
MW328.41 g/mol
LogP-0.48
Rot. Bonds5

About 2-[6-hydroxy-5-[(propan-2-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-1-morpholin-4-ylethanone

2-[6-hydroxy-5-[(propan-2-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-1-morpholin-4-ylethanone (PubChem CID 162792883) has the molecular formula C16H28N2O5 and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[6-hydroxy-5-[(propan-2-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[6-hydroxy-5-[(propan-2-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-1-morpholin-4-ylethanone
PubChem CID162792883
Molecular FormulaC16H28N2O5
Molecular Weight328.41 g/mol
Exact Mass328.20
IUPAC Name2-[6-hydroxy-5-[(propan-2-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-1-morpholin-4-ylethanone
SMILESCC(C)NCC1OC2CC(CC(=O)N3CCOCC3)OC2C1O
InChIInChI=1S/C16H28N2O5/c1-10(2)17-9-13-15(20)16-12(23-13)7-11(22-16)8-14(19)18-3-5-21-6-4-18/h10-13,15-17,20H,3-9H2,1-2H3
InChIKeyHXDIXAGYTHXFBO-UHFFFAOYSA-N
XLogP-0.48
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[6-hydroxy-5-[(propan-2-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-1-morpholin-4-ylethanone 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 2-[6-hydroxy-5-[(propan-2-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[6-hydroxy-5-[(propan-2-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-1-morpholin-4-ylethanone (CID 162792883) is 2-[6-hydroxy-5-[(propan-2-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[6-hydroxy-5-[(propan-2-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[6-hydroxy-5-[(propan-2-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-1-morpholin-4-ylethanone is CC(C)NCC1OC2CC(CC(=O)N3CCOCC3)OC2C1O.
What is the InChIKey of 2-[6-hydroxy-5-[(propan-2-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-1-morpholin-4-ylethanone?
The InChIKey is HXDIXAGYTHXFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O5/c1-10(2)17-9-13-15(20)16-12(23-13)7-11(22-16)8-14(19)18-3-5-21-6-4-18/h10-13,15-17,20H,3-9H2,1-2H3.
What are the key properties of 2-[6-hydroxy-5-[(propan-2-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-1-morpholin-4-ylethanone?
2-[6-hydroxy-5-[(propan-2-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-1-morpholin-4-ylethanone has a molecular weight of 328.41 g/mol, XLogP of -0.48, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-hydroxy-5-[(propan-2-ylamino)methyl]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 162792883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).