N-[2-[7-hydroxy-6-(2-oxo-3-phenylpropyl)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide

C22H25NO3 — CID 58381550

IUPACN-[2-[7-hydroxy-6-(2-oxo-3-phenylpropyl)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCc2ccc(CC(=O)Cc3ccccc3)c(O)c21
InChIInChI=1S/C22H25NO3/c1-15(24)23-12-11-18-8-7-17-9-10-19(22(26)21(17)18)14-20(25)13-16-5-3-2-4-6-16/h2-6,9-10,18,26H,7-8,11-14H2,1H3,(H,23,24)
InChIKeyKAGUMJYOKCENFJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.30
Rot. Bonds7

About N-[2-[7-hydroxy-6-(2-oxo-3-phenylpropyl)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide

N-[2-[7-hydroxy-6-(2-oxo-3-phenylpropyl)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide (PubChem CID 58381550) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[2-[7-hydroxy-6-(2-oxo-3-phenylpropyl)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[7-hydroxy-6-(2-oxo-3-phenylpropyl)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide
PubChem CID58381550
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC NameN-[2-[7-hydroxy-6-(2-oxo-3-phenylpropyl)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCc2ccc(CC(=O)Cc3ccccc3)c(O)c21
InChIInChI=1S/C22H25NO3/c1-15(24)23-12-11-18-8-7-17-9-10-19(22(26)21(17)18)14-20(25)13-16-5-3-2-4-6-16/h2-6,9-10,18,26H,7-8,11-14H2,1H3,(H,23,24)
InChIKeyKAGUMJYOKCENFJ-UHFFFAOYSA-N
XLogP3.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[7-hydroxy-6-(2-oxo-3-phenylpropyl)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide?
The IUPAC name of N-[2-[7-hydroxy-6-(2-oxo-3-phenylpropyl)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide (CID 58381550) is N-[2-[7-hydroxy-6-(2-oxo-3-phenylpropyl)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[7-hydroxy-6-(2-oxo-3-phenylpropyl)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[7-hydroxy-6-(2-oxo-3-phenylpropyl)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide is CC(=O)NCCC1CCc2ccc(CC(=O)Cc3ccccc3)c(O)c21.
What is the InChIKey of N-[2-[7-hydroxy-6-(2-oxo-3-phenylpropyl)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide?
The InChIKey is KAGUMJYOKCENFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO3/c1-15(24)23-12-11-18-8-7-17-9-10-19(22(26)21(17)18)14-20(25)13-16-5-3-2-4-6-16/h2-6,9-10,18,26H,7-8,11-14H2,1H3,(H,23,24).
What are the key properties of N-[2-[7-hydroxy-6-(2-oxo-3-phenylpropyl)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide?
N-[2-[7-hydroxy-6-(2-oxo-3-phenylpropyl)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[7-hydroxy-6-(2-oxo-3-phenylpropyl)-2,3-dihydro-1H-inden-1-yl]ethyl]acetamide is sourced from PubChem (CID 58381550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).