N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide

C23H25N3O2 — CID 39894229

IUPACN-[(2S)-1-(2,3-dihydroindol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2ccccc21
InChIInChI=1S/C23H25N3O2/c1-15(2)22(27)25-20(13-17-14-24-19-9-5-4-8-18(17)19)23(28)26-12-11-16-7-3-6-10-21(16)26/h3-10,14-15,20,24H,11-13H2,1-2H3,(H,25,27)/t20-/m0/s1
InChIKeyGQAPRDVYGUPYOW-FQEVSTJZSA-N
MW375.47 g/mol
LogP3.44
Rot. Bonds5

About N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide

N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide (PubChem CID 39894229) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2S)-1-(2,3-dihydroindol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
PubChem CID39894229
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[(2S)-1-(2,3-dihydroindol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
SMILESCC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2ccccc21
InChIInChI=1S/C23H25N3O2/c1-15(2)22(27)25-20(13-17-14-24-19-9-5-4-8-18(17)19)23(28)26-12-11-16-7-3-6-10-21(16)26/h3-10,14-15,20,24H,11-13H2,1-2H3,(H,25,27)/t20-/m0/s1
InChIKeyGQAPRDVYGUPYOW-FQEVSTJZSA-N
XLogP3.44
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide
CID 110286579
N-[3-(1H-indol-3-yl)-1-[4-(2-methylpropanoyl)piperazin-1-yl]-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647922
N-[1-(azepan-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 55647817
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]carbamoylamino]-3-(1H-indol-3-yl)propanoic acid
CID 45331843
3-(1H-indol-3-yl)-2-(2-methylpropanoylamino)propanoic acid
CID 582733
N-[(2R)-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 39878210
N-[(2R)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide
CID 39878211
N-[1-(2,3-dihydroimidazo[1,2-b]pyrazol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]acetamide
CID 154757311
N-[3-(1H-indol-3-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-1-oxopropan-2-yl]-2-methylpropanamide
CID 55650708
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 110286554
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide
CID 110286392
N-(2,3-dihydro-1H-inden-2-yl)-3-(1H-indol-3-yl)-2-methylpropanamide
CID 70208719

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide (CID 39894229) is N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide is CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2ccccc21.
What is the InChIKey of N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?
The InChIKey is GQAPRDVYGUPYOW-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15(2)22(27)25-20(13-17-14-24-19-9-5-4-8-18(17)19)23(28)26-12-11-16-7-3-6-10-21(16)26/h3-10,14-15,20,24H,11-13H2,1-2H3,(H,25,27)/t20-/m0/s1.
What are the key properties of N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide?
N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide has a molecular weight of 375.47 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 39894229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).