N-methyl-2-[(3S)-3-methyl-1-[3-[[(1S)-1-methyl-2,3-dihydroinden-1-yl]-propylamino]propyl]-2-oxoindol-3-yl]acetamide

C28H37N3O2 — CID 144662972

IUPACN-methyl-2-[(3S)-3-methyl-1-[3-[[(1S)-1-methyl-2,3-dihydroinden-1-yl]-propylamino]propyl]-2-oxoindol-3-yl]acetamide
SMILESCCCN(CCCN1C(=O)[C@@](C)(CC(=O)NC)c2ccccc21)[C@@]1(C)CCc2ccccc21
InChIInChI=1S/C28H37N3O2/c1-5-17-30(28(3)16-15-21-11-6-7-12-22(21)28)18-10-19-31-24-14-9-8-13-23(24)27(2,26(31)33)20-25(32)29-4/h6-9,11-14H,5,10,15-20H2,1-4H3,(H,29,32)/t27-,28-/m0/s1
InChIKeyMBGYFMAMBQSUDX-NSOVKSMOSA-N
MW447.62 g/mol
LogP4.39
Rot. Bonds9

About N-methyl-2-[(3S)-3-methyl-1-[3-[[(1S)-1-methyl-2,3-dihydroinden-1-yl]-propylamino]propyl]-2-oxoindol-3-yl]acetamide

N-methyl-2-[(3S)-3-methyl-1-[3-[[(1S)-1-methyl-2,3-dihydroinden-1-yl]-propylamino]propyl]-2-oxoindol-3-yl]acetamide (PubChem CID 144662972) has the molecular formula C28H37N3O2 and a molecular weight of 447.62 g/mol. Its IUPAC name is N-methyl-2-[(3S)-3-methyl-1-[3-[[(1S)-1-methyl-2,3-dihydroinden-1-yl]-propylamino]propyl]-2-oxoindol-3-yl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(3S)-3-methyl-1-[3-[[(1S)-1-methyl-2,3-dihydroinden-1-yl]-propylamino]propyl]-2-oxoindol-3-yl]acetamide
PubChem CID144662972
Molecular FormulaC28H37N3O2
Molecular Weight447.62 g/mol
Exact Mass447.29
IUPAC NameN-methyl-2-[(3S)-3-methyl-1-[3-[[(1S)-1-methyl-2,3-dihydroinden-1-yl]-propylamino]propyl]-2-oxoindol-3-yl]acetamide
SMILESCCCN(CCCN1C(=O)[C@@](C)(CC(=O)NC)c2ccccc21)[C@@]1(C)CCc2ccccc21
InChIInChI=1S/C28H37N3O2/c1-5-17-30(28(3)16-15-21-11-6-7-12-22(21)28)18-10-19-31-24-14-9-8-13-23(24)27(2,26(31)33)20-25(32)29-4/h6-9,11-14H,5,10,15-20H2,1-4H3,(H,29,32)/t27-,28-/m0/s1
InChIKeyMBGYFMAMBQSUDX-NSOVKSMOSA-N
XLogP4.39
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.62
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-3,4-dihydro-2H-naphthalen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide
CID 86304160
N-methyl-2-(3-methyl-2-oxo-1-piperidin-4-ylindol-3-yl)acetamide
CID 90259654
2-[(3R)-1-[1-[(1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]-3-methyl-2-oxoindol-3-yl]-N-methylacetamide
CID 86304973
2-[(3S)-1-[1-[(1S,2S)-2-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl]piperidin-4-yl]-3-methyl-2-oxoindol-3-yl]-N-methylacetamide
CID 86304974
1-ethyl-3-methyl-3-(2-naphthalen-1-yl-2-oxoethyl)indol-2-one
CID 138963365
1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 18888241
1-(1-methyl-2,3-dihydroinden-1-yl)piperidine;N-methyl-2-(3-methyl-2-oxo-1H-indol-3-yl)acetamide
CID 144663004
2-[(3S)-2',5'-dioxospiro[1,2-dihydroindene-3,3'-pyrrolidine]-1'-yl]-N-methylacetamide
CID 99820044
N-methyl-2-[(3R)-3-methyl-1-[1-[(1S)-1-methyl-2H-acenaphthylen-1-yl]piperidin-4-yl]-2-oxoindol-3-yl]acetamide
CID 90270623
1-(5-bromopentyl)-3,3-dimethylindol-2-one
CID 80500399
1-(3-bromopropyl)-3,3-dimethylindol-2-one
CID 15881759
2-[3-hydroxy-1-[1-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)piperidin-4-yl]-2-oxoindol-3-yl]-N-methylacetamide
CID 75593274

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(3S)-3-methyl-1-[3-[[(1S)-1-methyl-2,3-dihydroinden-1-yl]-propylamino]propyl]-2-oxoindol-3-yl]acetamide?
The IUPAC name of N-methyl-2-[(3S)-3-methyl-1-[3-[[(1S)-1-methyl-2,3-dihydroinden-1-yl]-propylamino]propyl]-2-oxoindol-3-yl]acetamide (CID 144662972) is N-methyl-2-[(3S)-3-methyl-1-[3-[[(1S)-1-methyl-2,3-dihydroinden-1-yl]-propylamino]propyl]-2-oxoindol-3-yl]acetamide.
What is the SMILES notation for N-methyl-2-[(3S)-3-methyl-1-[3-[[(1S)-1-methyl-2,3-dihydroinden-1-yl]-propylamino]propyl]-2-oxoindol-3-yl]acetamide?
The canonical SMILES for N-methyl-2-[(3S)-3-methyl-1-[3-[[(1S)-1-methyl-2,3-dihydroinden-1-yl]-propylamino]propyl]-2-oxoindol-3-yl]acetamide is CCCN(CCCN1C(=O)[C@@](C)(CC(=O)NC)c2ccccc21)[C@@]1(C)CCc2ccccc21.
What is the InChIKey of N-methyl-2-[(3S)-3-methyl-1-[3-[[(1S)-1-methyl-2,3-dihydroinden-1-yl]-propylamino]propyl]-2-oxoindol-3-yl]acetamide?
The InChIKey is MBGYFMAMBQSUDX-NSOVKSMOSA-N. The full InChI is InChI=1S/C28H37N3O2/c1-5-17-30(28(3)16-15-21-11-6-7-12-22(21)28)18-10-19-31-24-14-9-8-13-23(24)27(2,26(31)33)20-25(32)29-4/h6-9,11-14H,5,10,15-20H2,1-4H3,(H,29,32)/t27-,28-/m0/s1.
What are the key properties of N-methyl-2-[(3S)-3-methyl-1-[3-[[(1S)-1-methyl-2,3-dihydroinden-1-yl]-propylamino]propyl]-2-oxoindol-3-yl]acetamide?
N-methyl-2-[(3S)-3-methyl-1-[3-[[(1S)-1-methyl-2,3-dihydroinden-1-yl]-propylamino]propyl]-2-oxoindol-3-yl]acetamide has a molecular weight of 447.62 g/mol, XLogP of 4.39, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(3S)-3-methyl-1-[3-[[(1S)-1-methyl-2,3-dihydroinden-1-yl]-propylamino]propyl]-2-oxoindol-3-yl]acetamide is sourced from PubChem (CID 144662972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).