2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide

C20H24N2O2 — CID 134043050

IUPAC2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(C)C2CCc3ccccc32)cc1
InChIInChI=1S/C20H24N2O2/c1-22(19-12-9-16-5-3-4-6-18(16)19)14-20(23)21-13-15-7-10-17(24-2)11-8-15/h3-8,10-11,19H,9,12-14H2,1-2H3,(H,21,23)
InChIKeyBNEJJLOAQFLCQJ-UHFFFAOYSA-N
MW324.42 g/mol
LogP2.93
Rot. Bonds6

About 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide

2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 134043050) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID134043050
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN(C)C2CCc3ccccc32)cc1
InChIInChI=1S/C20H24N2O2/c1-22(19-12-9-16-5-3-4-6-18(16)19)14-20(23)21-13-15-7-10-17(24-2)11-8-15/h3-8,10-11,19H,9,12-14H2,1-2H3,(H,21,23)
InChIKeyBNEJJLOAQFLCQJ-UHFFFAOYSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-ethylacetamide
CID 134043159
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 37058374
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-methoxyphenyl)-N-methylacetamide
CID 52557701
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 134043190
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(methylcarbamoyl)acetamide
CID 47147183
2-[[(1R)-2,3-dihydro-1H-inden-1-yl]-methylamino]-N-naphthalen-1-ylacetamide
CID 36674335
N-(1,3-benzodioxol-5-ylmethyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260785
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-N-methylbenzamide
CID 18283889
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 48502605
N-[2-(4-ethoxyphenoxy)ethyl]-2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 8681300
N-(2,5-dimethoxyphenyl)-2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetamide
CID 9260607
2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-N-prop-2-ynylacetamide
CID 8681009

Frequently Asked Questions

What is the IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide (CID 134043050) is 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN(C)C2CCc3ccccc32)cc1.
What is the InChIKey of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is BNEJJLOAQFLCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-22(19-12-9-16-5-3-4-6-18(16)19)14-20(23)21-13-15-7-10-17(24-2)11-8-15/h3-8,10-11,19H,9,12-14H2,1-2H3,(H,21,23).
What are the key properties of 2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 324.42 g/mol, XLogP of 2.93, 6 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-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 134043050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).