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

C22H28N2O2 — CID 56884109

IUPAC2-[benzyl(methyl)amino]-N-(2-hydroxybutyl)-1,3-dihydroindene-2-carboxamide
SMILESCCC(O)CNC(=O)C1(N(C)Cc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C22H28N2O2/c1-3-20(25)15-23-21(26)22(13-18-11-7-8-12-19(18)14-22)24(2)16-17-9-5-4-6-10-17/h4-12,20,25H,3,13-16H2,1-2H3,(H,23,26)
InChIKeyNAGTYMGNUPXMBL-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.54
Rot. Bonds7

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

2-[benzyl(methyl)amino]-N-(2-hydroxybutyl)-1,3-dihydroindene-2-carboxamide (PubChem CID 56884109) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-(2-hydroxybutyl)-1,3-dihydroindene-2-carboxamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-(2-hydroxybutyl)-1,3-dihydroindene-2-carboxamide
PubChem CID56884109
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC Name2-[benzyl(methyl)amino]-N-(2-hydroxybutyl)-1,3-dihydroindene-2-carboxamide
SMILESCCC(O)CNC(=O)C1(N(C)Cc2ccccc2)Cc2ccccc2C1
InChIInChI=1S/C22H28N2O2/c1-3-20(25)15-23-21(26)22(13-18-11-7-8-12-19(18)14-22)24(2)16-17-9-5-4-6-10-17/h4-12,20,25H,3,13-16H2,1-2H3,(H,23,26)
InChIKeyNAGTYMGNUPXMBL-UHFFFAOYSA-N
XLogP2.54
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,6R)-1-[(1R)-1-(2,4-difluorophenyl)-2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-(2,3-dihydro-1H-inden-2-yl)-6-isobutylpiperazine-2,5-dione
CID 11295207
(2R)-2-(2,4-difluorophenyl)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-(2-hydroxyethyl)-N-methylacetamide
CID 11598736
(1R)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
CID 45263513
(1S)-1'-[(2R)-2-[(2-amino-2-methylpropanoyl)amino]-5-phenylpentanoyl]-N-(2-hydroxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-carboxamide;hydrochloride
CID 45263519
1-(S)-(N'-(3,5-Difluorophenylacetyl)-L-alaninyl)amino-2-(R)-indanol
CID 10177403
(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-phenyl-N-propan-2-ylacetamide
CID 11363194
(2S)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-phenylacetamide
CID 11385982
(2R)-N-tert-butyl-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-phenylacetamide
CID 11408910
(3R,6R)-1-[(1R)-1-(2,4-difluorophenyl)-2-hydroxyethyl]-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 11495934
(2R)-2-[(3R,6R)-3-(2,3-dihydro-1H-inden-2-yl)-6-(2-methylpropyl)-2-oxopiperazin-1-yl]-2-phenyl-N-propan-2-ylacetamide
CID 11525173
(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxo-4-prop-2-enylpiperazin-1-yl]-2-phenyl-N-propan-2-ylacetamide
CID 11598556
(2S)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-2-phenyl-N-propan-2-ylacetamide
CID 11641200

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-(2-hydroxybutyl)-1,3-dihydroindene-2-carboxamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-(2-hydroxybutyl)-1,3-dihydroindene-2-carboxamide (CID 56884109) is 2-[benzyl(methyl)amino]-N-(2-hydroxybutyl)-1,3-dihydroindene-2-carboxamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-(2-hydroxybutyl)-1,3-dihydroindene-2-carboxamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-(2-hydroxybutyl)-1,3-dihydroindene-2-carboxamide is CCC(O)CNC(=O)C1(N(C)Cc2ccccc2)Cc2ccccc2C1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-(2-hydroxybutyl)-1,3-dihydroindene-2-carboxamide?
The InChIKey is NAGTYMGNUPXMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-3-20(25)15-23-21(26)22(13-18-11-7-8-12-19(18)14-22)24(2)16-17-9-5-4-6-10-17/h4-12,20,25H,3,13-16H2,1-2H3,(H,23,26).
What are the key properties of 2-[benzyl(methyl)amino]-N-(2-hydroxybutyl)-1,3-dihydroindene-2-carboxamide?
2-[benzyl(methyl)amino]-N-(2-hydroxybutyl)-1,3-dihydroindene-2-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-(2-hydroxybutyl)-1,3-dihydroindene-2-carboxamide is sourced from PubChem (CID 56884109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).