2-[benzyl(methyl)amino]-N-(2,3-dihydroxypropyl)-N-methyl-1,3-dihydroindene-2-carboxamide

C22H28N2O3 — CID 56909077

IUPAC2-[benzyl(methyl)amino]-N-(2,3-dihydroxypropyl)-N-methyl-1,3-dihydroindene-2-carboxamide
SMILESCN(CC(O)CO)C(=O)C1(N(C)Cc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C22H28N2O3/c1-23(15-20(26)16-25)21(27)22(12-18-10-6-7-11-19(18)13-22)24(2)14-17-8-4-3-5-9-17/h3-11,20,25-26H,12-16H2,1-2H3
InChIKeyYRDIGWIHRGPJMR-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.47
Rot. Bonds7

About 2-[benzyl(methyl)amino]-N-(2,3-dihydroxypropyl)-N-methyl-1,3-dihydroindene-2-carboxamide

2-[benzyl(methyl)amino]-N-(2,3-dihydroxypropyl)-N-methyl-1,3-dihydroindene-2-carboxamide (PubChem CID 56909077) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(2,3-dihydroxypropyl)-N-methyl-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-(2,3-dihydroxypropyl)-N-methyl-1,3-dihydroindene-2-carboxamide
PubChem CID56909077
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name2-[benzyl(methyl)amino]-N-(2,3-dihydroxypropyl)-N-methyl-1,3-dihydroindene-2-carboxamide
SMILESCN(CC(O)CO)C(=O)C1(N(C)Cc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C22H28N2O3/c1-23(15-20(26)16-25)21(27)22(12-18-10-6-7-11-19(18)13-22)24(2)14-17-8-4-3-5-9-17/h3-11,20,25-26H,12-16H2,1-2H3
InChIKeyYRDIGWIHRGPJMR-UHFFFAOYSA-N
XLogP1.47
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
N-(1H-imidazol-2-ylmethyl)-N-methyl-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide
CID 56909102
[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 26319997
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
3-[methyl-[(3-methylphenyl)methyl]amino]propane-1,2-diol
CID 82850825
N-(2-hydroxypropyl)-N-methyl-1-phenylcyclopropane-1-carboxamide
CID 62335163
2-[butan-2-yl(methyl)amino]-1,3-dihydroindene-2-carboxylic acid
CID 114989685
N-(2-hydroxypropyl)-2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carboxamide
CID 56892980
1-N,4-N-dibenzyl-1,2,2,3,3,4,5,5,6,6-decafluoro-1-N,4-N-dimethylcyclohexane-1,4-dicarboxamide
CID 5018753
3-[benzyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 3825046

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-(2,3-dihydroxypropyl)-N-methyl-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-(2,3-dihydroxypropyl)-N-methyl-1,3-dihydroindene-2-carboxamide (CID 56909077) is 2-[benzyl(methyl)amino]-N-(2,3-dihydroxypropyl)-N-methyl-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(2,3-dihydroxypropyl)-N-methyl-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-(2,3-dihydroxypropyl)-N-methyl-1,3-dihydroindene-2-carboxamide is CN(CC(O)CO)C(=O)C1(N(C)Cc2ccccc2)Cc2ccccc2C1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-(2,3-dihydroxypropyl)-N-methyl-1,3-dihydroindene-2-carboxamide?
The InChIKey is YRDIGWIHRGPJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-23(15-20(26)16-25)21(27)22(12-18-10-6-7-11-19(18)13-22)24(2)14-17-8-4-3-5-9-17/h3-11,20,25-26H,12-16H2,1-2H3.
What are the key properties of 2-[benzyl(methyl)amino]-N-(2,3-dihydroxypropyl)-N-methyl-1,3-dihydroindene-2-carboxamide?
2-[benzyl(methyl)amino]-N-(2,3-dihydroxypropyl)-N-methyl-1,3-dihydroindene-2-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-(2,3-dihydroxypropyl)-N-methyl-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 56909077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).