N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

C20H23NO4 — CID 2570835

IUPACN-(2,3-dihydro-1H-inden-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2ccc3c(c2)CCC3)cc(OC)c1OC
InChIInChI=1S/C20H23NO4/c1-23-17-9-13(10-18(24-2)20(17)25-3)11-19(22)21-16-8-7-14-5-4-6-15(14)12-16/h7-10,12H,4-6,11H2,1-3H3,(H,21,22)
InChIKeyHKEPYEVXQOPOGP-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.38
Rot. Bonds6

About N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide

N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 2570835) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID2570835
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC NameN-(2,3-dihydro-1H-inden-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CC(=O)Nc2ccc3c(c2)CCC3)cc(OC)c1OC
InChIInChI=1S/C20H23NO4/c1-23-17-9-13(10-18(24-2)20(17)25-3)11-19(22)21-16-8-7-14-5-4-6-15(14)12-16/h7-10,12H,4-6,11H2,1-3H3,(H,21,22)
InChIKeyHKEPYEVXQOPOGP-UHFFFAOYSA-N
XLogP3.38
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 2570835) is N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CC(=O)Nc2ccc3c(c2)CCC3)cc(OC)c1OC.
What is the InChIKey of N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is HKEPYEVXQOPOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-23-17-9-13(10-18(24-2)20(17)25-3)11-19(22)21-16-8-7-14-5-4-6-15(14)12-16/h7-10,12H,4-6,11H2,1-3H3,(H,21,22).
What are the key properties of N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide?
N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 341.41 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-5-yl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 2570835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).