(2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone

C21H22N2O2 — CID 9356699

IUPAC(2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone
SMILESO=C(c1c[nH]c2ccccc12)[C@H](NC[C@@H]1CCCO1)c1ccccc1
InChIInChI=1S/C21H22N2O2/c24-21(18-14-22-19-11-5-4-10-17(18)19)20(15-7-2-1-3-8-15)23-13-16-9-6-12-25-16/h1-5,7-8,10-11,14,16,20,22-23H,6,9,12-13H2/t16-,20+/m0/s1
InChIKeyKPWVJWQHDVZSEA-OXJNMPFZSA-N
MW334.42 g/mol
LogP3.86
Rot. Bonds6

About (2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone

(2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone (PubChem CID 9356699) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone.

Molecular Properties

Compound Name(2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone
PubChem CID9356699
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name(2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone
SMILESO=C(c1c[nH]c2ccccc12)[C@H](NC[C@@H]1CCCO1)c1ccccc1
InChIInChI=1S/C21H22N2O2/c24-21(18-14-22-19-11-5-4-10-17(18)19)20(15-7-2-1-3-8-15)23-13-16-9-6-12-25-16/h1-5,7-8,10-11,14,16,20,22-23H,6,9,12-13H2/t16-,20+/m0/s1
InChIKeyKPWVJWQHDVZSEA-OXJNMPFZSA-N
XLogP3.86
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone with MolForge

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Related Compounds

2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetic acid
CID 54889961
(2R)-1-(1H-indol-3-yl)-2-phenyl-2-(2-piperidin-1-ylethylamino)ethanone
CID 158771523
2-(oxolan-2-ylmethylamino)-2-phenyl-1-pyrrolidin-1-ylethanone
CID 55409532
2-(1H-indol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30385068
(2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone
CID 9356665
2-[bis(oxolan-2-ylmethyl)amino]-1-(1H-indol-3-yl)ethanone
CID 47077973
2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 42916880
(2R)-1-(1H-indol-3-yl)-2-phenyl-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methylamino]ethanone
CID 31444734
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-[[(2S)-oxolan-2-yl]methylsulfanyl]benzoate
CID 8733985
(2R)-1-(1H-indol-3-yl)-2-[[(2S)-2-(4-methylphenyl)butyl]amino]-2-phenylethanone
CID 159861314
2-(4-fluorophenyl)-2-(oxolan-2-ylmethylamino)acetamide
CID 60710779
2-[[(2R)-2-(4-chlorophenyl)butyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 139422950

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone?
The IUPAC name of (2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone (CID 9356699) is (2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone.
What is the SMILES notation for (2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone?
The canonical SMILES for (2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone is O=C(c1c[nH]c2ccccc12)[C@H](NC[C@@H]1CCCO1)c1ccccc1.
What is the InChIKey of (2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone?
The InChIKey is KPWVJWQHDVZSEA-OXJNMPFZSA-N. The full InChI is InChI=1S/C21H22N2O2/c24-21(18-14-22-19-11-5-4-10-17(18)19)20(15-7-2-1-3-8-15)23-13-16-9-6-12-25-16/h1-5,7-8,10-11,14,16,20,22-23H,6,9,12-13H2/t16-,20+/m0/s1.
What are the key properties of (2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone?
(2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone has a molecular weight of 334.42 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(1H-indol-3-yl)-2-[[(2S)-oxolan-2-yl]methylamino]-2-phenylethanone is sourced from PubChem (CID 9356699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).