2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide

C21H26N2O2 — CID 134043190

IUPAC2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CN(C)C1CCc2ccccc21
InChIInChI=1S/C21H26N2O2/c1-23(19-12-11-16-7-3-5-9-18(16)19)15-21(24)22-14-13-17-8-4-6-10-20(17)25-2/h3-10,19H,11-15H2,1-2H3,(H,22,24)
InChIKeyNOPSVVDSAWISHU-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.97
Rot. Bonds7

About 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide

2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide (PubChem CID 134043190) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
PubChem CID134043190
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccccc1CCNC(=O)CN(C)C1CCc2ccccc21
InChIInChI=1S/C21H26N2O2/c1-23(19-12-11-16-7-3-5-9-18(16)19)15-21(24)22-14-13-17-8-4-6-10-20(17)25-2/h3-10,19H,11-15H2,1-2H3,(H,22,24)
InChIKeyNOPSVVDSAWISHU-UHFFFAOYSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide (CID 134043190) is 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide is COc1ccccc1CCNC(=O)CN(C)C1CCc2ccccc21.
What is the InChIKey of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
The InChIKey is NOPSVVDSAWISHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-23(19-12-11-16-7-3-5-9-18(16)19)15-21(24)22-14-13-17-8-4-6-10-20(17)25-2/h3-10,19H,11-15H2,1-2H3,(H,22,24).
What are the key properties of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide?
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 134043190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).