2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propylacetamide

C21H30N2O4 — CID 163075630

IUPAC2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propylacetamide
SMILESCCCNC(=O)CC1CC2OC(CNC3Cc4ccccc4C3)C(O)C2O1
InChIInChI=1S/C21H30N2O4/c1-2-7-22-19(24)11-16-10-17-21(26-16)20(25)18(27-17)12-23-15-8-13-5-3-4-6-14(13)9-15/h3-6,15-18,20-21,23,25H,2,7-12H2,1H3,(H,22,24)
InChIKeyMAFJTZXTPXJDPE-UHFFFAOYSA-N
MW374.48 g/mol
LogP0.95
Rot. Bonds7

About 2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propylacetamide

2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propylacetamide (PubChem CID 163075630) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propylacetamide.

Molecular Properties

Compound Name2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propylacetamide
PubChem CID163075630
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propylacetamide
SMILESCCCNC(=O)CC1CC2OC(CNC3Cc4ccccc4C3)C(O)C2O1
InChIInChI=1S/C21H30N2O4/c1-2-7-22-19(24)11-16-10-17-21(26-16)20(25)18(27-17)12-23-15-8-13-5-3-4-6-14(13)9-15/h3-6,15-18,20-21,23,25H,2,7-12H2,1H3,(H,22,24)
InChIKeyMAFJTZXTPXJDPE-UHFFFAOYSA-N
XLogP0.95
TPSA79.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propylacetamide?
The IUPAC name of 2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propylacetamide (CID 163075630) is 2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propylacetamide.
What is the SMILES notation for 2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propylacetamide?
The canonical SMILES for 2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propylacetamide is CCCNC(=O)CC1CC2OC(CNC3Cc4ccccc4C3)C(O)C2O1.
What is the InChIKey of 2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propylacetamide?
The InChIKey is MAFJTZXTPXJDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-2-7-22-19(24)11-16-10-17-21(26-16)20(25)18(27-17)12-23-15-8-13-5-3-4-6-14(13)9-15/h3-6,15-18,20-21,23,25H,2,7-12H2,1H3,(H,22,24).
What are the key properties of 2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propylacetamide?
2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propylacetamide has a molecular weight of 374.48 g/mol, XLogP of 0.95, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2,3-dihydro-1H-inden-2-ylamino)methyl]-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-2-yl]-N-propylacetamide is sourced from PubChem (CID 163075630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).