2-[3-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]phenoxy]acetamide

C18H17NO4 — CID 75526427

IUPAC2-[3-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(COc2cccc3c2CCC3=O)c1
InChIInChI=1S/C18H17NO4/c19-18(21)11-22-13-4-1-3-12(9-13)10-23-17-6-2-5-14-15(17)7-8-16(14)20/h1-6,9H,7-8,10-11H2,(H2,19,21)
InChIKeyCOPAWHKYDCQKSP-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.26
Rot. Bonds6

About 2-[3-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]phenoxy]acetamide

2-[3-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]phenoxy]acetamide (PubChem CID 75526427) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-[3-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]phenoxy]acetamide
PubChem CID75526427
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name2-[3-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]phenoxy]acetamide
SMILESNC(=O)COc1cccc(COc2cccc3c2CCC3=O)c1
InChIInChI=1S/C18H17NO4/c19-18(21)11-22-13-4-1-3-12(9-13)10-23-17-6-2-5-14-15(17)7-8-16(14)20/h1-6,9H,7-8,10-11H2,(H2,19,21)
InChIKeyCOPAWHKYDCQKSP-UHFFFAOYSA-N
XLogP2.26
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]phenoxy]acetamide (CID 75526427) is 2-[3-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]phenoxy]acetamide is NC(=O)COc1cccc(COc2cccc3c2CCC3=O)c1.
What is the InChIKey of 2-[3-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]phenoxy]acetamide?
The InChIKey is COPAWHKYDCQKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c19-18(21)11-22-13-4-1-3-12(9-13)10-23-17-6-2-5-14-15(17)7-8-16(14)20/h1-6,9H,7-8,10-11H2,(H2,19,21).
What are the key properties of 2-[3-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]phenoxy]acetamide?
2-[3-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]phenoxy]acetamide has a molecular weight of 311.34 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-oxo-2,3-dihydroinden-4-yl)oxymethyl]phenoxy]acetamide is sourced from PubChem (CID 75526427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).