2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide

C20H24N2O2 — CID 99959246

IUPAC2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCOCCN(Cc1ccncc1)C(=O)C[C@H]1CCc2ccccc21
InChIInChI=1S/C20H24N2O2/c1-24-13-12-22(15-16-8-10-21-11-9-16)20(23)14-18-7-6-17-4-2-3-5-19(17)18/h2-5,8-11,18H,6-7,12-15H2,1H3/t18-/m1/s1
InChIKeyZGRWZKFLBYMENC-GOSISDBHSA-N
MW324.42 g/mol
LogP3.18
Rot. Bonds7

About 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide

2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 99959246) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide
PubChem CID99959246
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide
SMILESCOCCN(Cc1ccncc1)C(=O)C[C@H]1CCc2ccccc21
InChIInChI=1S/C20H24N2O2/c1-24-13-12-22(15-16-8-10-21-11-9-16)20(23)14-18-7-6-17-4-2-3-5-19(17)18/h2-5,8-11,18H,6-7,12-15H2,1H3/t18-/m1/s1
InChIKeyZGRWZKFLBYMENC-GOSISDBHSA-N
XLogP3.18
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-cyclopentyl-N-(2-methoxyethyl)acetamide
CID 86975819
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 97145385
2-(2,3-dihydro-1H-inden-1-yl)-N-(3-hydroxypropyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 70768798
(3R)-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 97115858
2-(2,3-dihydro-1H-inden-1-yl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
CID 135105196
2-[(1S)-3,4-dihydro-1H-isochromen-1-yl]-N-(2-methoxyethyl)-N-(pyridin-2-ylmethyl)acetamide
CID 96551195
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-(2-pyridin-4-ylethyl)acetamide
CID 97149134
2-(2,3-dihydro-1H-inden-1-yl)-N-methyl-N-(2-phenoxyethyl)acetamide
CID 86955304
3-benzyl-1-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)urea
CID 52906852
N-(3-methoxypropyl)-N-(pyridin-4-ylmethyl)cyclopentanecarboxamide
CID 56782285
3-[(1R)-2,3-dihydro-1H-inden-1-yl]-1-(3-hydroxypropyl)-1-(pyridin-4-ylmethyl)urea
CID 97226906
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[(3-hydroxy-4-methoxyphenyl)methyl]-N-methylacetamide
CID 95121443

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide (CID 99959246) is 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide is COCCN(Cc1ccncc1)C(=O)C[C@H]1CCc2ccccc21.
What is the InChIKey of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is ZGRWZKFLBYMENC-GOSISDBHSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-24-13-12-22(15-16-8-10-21-11-9-16)20(23)14-18-7-6-17-4-2-3-5-19(17)18/h2-5,8-11,18H,6-7,12-15H2,1H3/t18-/m1/s1.
What are the key properties of 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide?
2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 324.42 g/mol, XLogP of 3.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-(2-methoxyethyl)-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 99959246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).