2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-(oxan-4-yl)acetamide

C16H21NO4 — CID 63091211

IUPAC2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-(oxan-4-yl)acetamide
SMILESO=C(COc1cccc2c1CCC2O)NC1CCOCC1
InChIInChI=1S/C16H21NO4/c18-14-5-4-13-12(14)2-1-3-15(13)21-10-16(19)17-11-6-8-20-9-7-11/h1-3,11,14,18H,4-10H2,(H,17,19)
InChIKeySPSIGMJKTIEMAT-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.34
Rot. Bonds4

About 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-(oxan-4-yl)acetamide

2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-(oxan-4-yl)acetamide (PubChem CID 63091211) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-(oxan-4-yl)acetamide
PubChem CID63091211
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-(oxan-4-yl)acetamide
SMILESO=C(COc1cccc2c1CCC2O)NC1CCOCC1
InChIInChI=1S/C16H21NO4/c18-14-5-4-13-12(14)2-1-3-15(13)21-10-16(19)17-11-6-8-20-9-7-11/h1-3,11,14,18H,4-10H2,(H,17,19)
InChIKeySPSIGMJKTIEMAT-UHFFFAOYSA-N
XLogP1.34
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-(oxan-4-yl)acetamide (CID 63091211) is 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-(oxan-4-yl)acetamide is O=C(COc1cccc2c1CCC2O)NC1CCOCC1.
What is the InChIKey of 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-(oxan-4-yl)acetamide?
The InChIKey is SPSIGMJKTIEMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c18-14-5-4-13-12(14)2-1-3-15(13)21-10-16(19)17-11-6-8-20-9-7-11/h1-3,11,14,18H,4-10H2,(H,17,19).
What are the key properties of 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-(oxan-4-yl)acetamide?
2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-(oxan-4-yl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxy-2,3-dihydro-1H-inden-4-yl)oxy]-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63091211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).