[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

C22H26N2O2 — CID 26319997

IUPAC[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCN(Cc1ccccc1)C1(C(=O)N2CC[C@H](O)C2)Cc2ccccc2C1
InChIInChI=1S/C22H26N2O2/c1-23(15-17-7-3-2-4-8-17)22(21(26)24-12-11-20(25)16-24)13-18-9-5-6-10-19(18)14-22/h2-10,20,25H,11-16H2,1H3/t20-/m0/s1
InChIKeyOHSQEJZADIVZHO-FQEVSTJZSA-N
MW350.46 g/mol
LogP2.25
Rot. Bonds4

About [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone

[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 26319997) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID26319997
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCN(Cc1ccccc1)C1(C(=O)N2CC[C@H](O)C2)Cc2ccccc2C1
InChIInChI=1S/C22H26N2O2/c1-23(15-17-7-3-2-4-8-17)22(21(26)24-12-11-20(25)16-24)13-18-9-5-6-10-19(18)14-22/h2-10,20,25H,11-16H2,1H3/t20-/m0/s1
InChIKeyOHSQEJZADIVZHO-FQEVSTJZSA-N
XLogP2.25
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-pyrrolidin-1-ylmethanone
CID 25301333
[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 28957486
(4-methoxypiperidin-1-yl)-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone
CID 42516002
[3-(aminomethyl)piperidin-1-yl]-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]methanone
CID 56904936
[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone
CID 56896500
(3R)-N'-[2-[benzyl(methyl)amino]ethyl]-N-ethyl-3-hydroxypyrrolidine-1-carboximidamide;hydroiodide
CID 111550409
2-[benzyl(methyl)amino]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1,3-dihydroindene-2-carboxamide
CID 56897389
1-methyl-4-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carbonyl]piperazin-2-one
CID 56893485
2-[benzyl(methyl)amino]-N-(2,3-dihydroxypropyl)-N-methyl-1,3-dihydroindene-2-carboxamide
CID 56909077
[(3R)-3-hydroxypyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 66262419
3-benzyl-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-phenylbutan-1-one
CID 111970521
[2-(dimethylamino)-1,3-dihydroinden-2-yl]-[(3R)-3-phenylpiperazin-1-yl]methanone
CID 95730223

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone (CID 26319997) is [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is CN(Cc1ccccc1)C1(C(=O)N2CC[C@H](O)C2)Cc2ccccc2C1.
What is the InChIKey of [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is OHSQEJZADIVZHO-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-23(15-17-7-3-2-4-8-17)22(21(26)24-12-11-20(25)16-24)13-18-9-5-6-10-19(18)14-22/h2-10,20,25H,11-16H2,1H3/t20-/m0/s1.
What are the key properties of [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone?
[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 350.46 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 26319997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).