[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-pyrrolidin-1-ylmethanone

C22H26N2O — CID 25301333

IUPAC[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-pyrrolidin-1-ylmethanone
SMILESCN(Cc1ccccc1)C1(C(=O)N2CCCC2)Cc2ccccc2C1
InChIInChI=1S/C22H26N2O/c1-23(17-18-9-3-2-4-10-18)22(21(25)24-13-7-8-14-24)15-19-11-5-6-12-20(19)16-22/h2-6,9-12H,7-8,13-17H2,1H3
InChIKeyCNNWNHFDMBSYRR-UHFFFAOYSA-N
MW334.46 g/mol
LogP3.28
Rot. Bonds4

About [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-pyrrolidin-1-ylmethanone

[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 25301333) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID25301333
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-pyrrolidin-1-ylmethanone
SMILESCN(Cc1ccccc1)C1(C(=O)N2CCCC2)Cc2ccccc2C1
InChIInChI=1S/C22H26N2O/c1-23(17-18-9-3-2-4-10-18)22(21(25)24-13-7-8-14-24)15-19-11-5-6-12-20(19)16-22/h2-6,9-12H,7-8,13-17H2,1H3
InChIKeyCNNWNHFDMBSYRR-UHFFFAOYSA-N
XLogP3.28
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 28957486
[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 26319997
[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone
CID 56896500
(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
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
2-[benzyl(methyl)amino]-N-[(3R,4R)-4-hydroxypyrrolidin-3-yl]-1,3-dihydroindene-2-carboxamide
CID 56897389
2-[ethyl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid
CID 82236410
N-benzyl-1-(piperidine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 108972011
2-[benzyl(methyl)amino]-1-piperidin-1-ylpropan-1-one
CID 78786454
N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131814

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-pyrrolidin-1-ylmethanone (CID 25301333) is [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-pyrrolidin-1-ylmethanone is CN(Cc1ccccc1)C1(C(=O)N2CCCC2)Cc2ccccc2C1.
What is the InChIKey of [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is CNNWNHFDMBSYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-23(17-18-9-3-2-4-10-18)22(21(25)24-13-7-8-14-24)15-19-11-5-6-12-20(19)16-22/h2-6,9-12H,7-8,13-17H2,1H3.
What are the key properties of [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-pyrrolidin-1-ylmethanone?
[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 334.46 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 25301333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).