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

C22H23N3O2 — CID 110286579

IUPACN-[(2S)-1-(2,3-dihydroindol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide
SMILESCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2ccccc21
InChIInChI=1S/C22H23N3O2/c1-2-21(26)24-19(13-16-14-23-18-9-5-4-8-17(16)18)22(27)25-12-11-15-7-3-6-10-20(15)25/h3-10,14,19,23H,2,11-13H2,1H3,(H,24,26)/t19-/m0/s1
InChIKeyMWPUGNJJONTMND-IBGZPJMESA-N
MW361.45 g/mol
LogP3.19
Rot. Bonds5

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

N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide (PubChem CID 110286579) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(2S)-1-(2,3-dihydroindol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide
PubChem CID110286579
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC NameN-[(2S)-1-(2,3-dihydroindol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide
SMILESCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCc2ccccc21
InChIInChI=1S/C22H23N3O2/c1-2-21(26)24-19(13-16-14-23-18-9-5-4-8-17(16)18)22(27)25-12-11-15-7-3-6-10-20(15)25/h3-10,14,19,23H,2,11-13H2,1H3,(H,24,26)/t19-/m0/s1
InChIKeyMWPUGNJJONTMND-IBGZPJMESA-N
XLogP3.19
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.19
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]-2-methylpropanamide
CID 39894229
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]carbamoylamino]-3-(1H-indol-3-yl)propanoic acid
CID 45331843
N-[(2R)-1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-phenylbutanamide
CID 59976393
(2S)-3-(1H-indol-3-yl)-2-[[2-(propanoylamino)acetyl]amino]propanoic acid
CID 110187482
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-(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
N-[3-(1H-indol-3-yl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-2-methylpropanamide
CID 42698643
N-[(2S)-1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]methanesulfonamide
CID 110286554
3-acetamido-N-[3-(1H-indol-3-yl)-1-morpholin-4-yl-1-oxopropan-2-yl]propanamide
CID 110625994
tert-butyl 4-[[(2R)-1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]piperazine-1-carboxylate
CID 59976397
N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-2,2-dimethylpropanamide
CID 110286392

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]propanamide?
The IUPAC name of N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide (CID 110286579) is N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide.
What is the SMILES notation for N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide?
The canonical SMILES for N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide is CCC(=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]propanamide?
The InChIKey is MWPUGNJJONTMND-IBGZPJMESA-N. The full InChI is InChI=1S/C22H23N3O2/c1-2-21(26)24-19(13-16-14-23-18-9-5-4-8-17(16)18)22(27)25-12-11-15-7-3-6-10-20(15)25/h3-10,14,19,23H,2,11-13H2,1H3,(H,24,26)/t19-/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]propanamide?
N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-(1H-indol-3-yl)-1-oxopropan-2-yl]propanamide has a molecular weight of 361.45 g/mol, XLogP of 3.19, 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]propanamide is sourced from PubChem (CID 110286579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).