(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one

C22H25N3O2 — CID 31010331

IUPAC(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
SMILESCC(=O)N1CCc2cc(N[C@H](C)C(=O)N3c4ccccc4C[C@@H]3C)ccc21
InChIInChI=1S/C22H25N3O2/c1-14-12-17-6-4-5-7-21(17)25(14)22(27)15(2)23-19-8-9-20-18(13-19)10-11-24(20)16(3)26/h4-9,13-15,23H,10-12H2,1-3H3/t14-,15+/m0/s1
InChIKeyWAQOBDDNFFLDBY-LSDHHAIUSA-N
MW363.46 g/mol
LogP3.37
Rot. Bonds3

About (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one

(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 31010331) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
PubChem CID31010331
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
SMILESCC(=O)N1CCc2cc(N[C@H](C)C(=O)N3c4ccccc4C[C@@H]3C)ccc21
InChIInChI=1S/C22H25N3O2/c1-14-12-17-6-4-5-7-21(17)25(14)22(27)15(2)23-19-8-9-20-18(13-19)10-11-24(20)16(3)26/h4-9,13-15,23H,10-12H2,1-3H3/t14-,15+/m0/s1
InChIKeyWAQOBDDNFFLDBY-LSDHHAIUSA-N
XLogP3.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 55351280
(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 2462085
(2R)-2-[(6-methoxy-3-pyridinyl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 37303795
3-methyl-N-[4-[[1-(2-methyl-2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]amino]phenyl]butanamide
CID 43049982
(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[3-(trifluoromethoxy)anilino]propan-1-one
CID 32786814
2,3-dihydroindol-1-yl-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 108991218
methyl N-methyl-N-[4-[[(2S)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 95171946
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 15997280
1-[5-(1-thiophen-3-ylethylamino)-2,3-dihydroindol-1-yl]ethanone
CID 62089817
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-(3,5-dichlorophenyl)propanamide
CID 25359317
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-N-[(4-methylphenyl)methyl]propanamide
CID 25360569
1-[5-(3-methylpentan-2-ylamino)-2,3-dihydroindol-1-yl]ethanone
CID 43684593

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?
The IUPAC name of (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one (CID 31010331) is (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one is CC(=O)N1CCc2cc(N[C@H](C)C(=O)N3c4ccccc4C[C@@H]3C)ccc21.
What is the InChIKey of (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?
The InChIKey is WAQOBDDNFFLDBY-LSDHHAIUSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-14-12-17-6-4-5-7-21(17)25(14)22(27)15(2)23-19-8-9-20-18(13-19)10-11-24(20)16(3)26/h4-9,13-15,23H,10-12H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?
(2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 363.46 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 31010331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).