(2R)-1-(1H-indol-3-yl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylethanone

C25H24N2O2 — CID 31443537

IUPAC(2R)-1-(1H-indol-3-yl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylethanone
SMILESCOc1ccccc1[C@H](C)N[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C25H24N2O2/c1-17(19-12-7-9-15-23(19)29-2)27-24(18-10-4-3-5-11-18)25(28)21-16-26-22-14-8-6-13-20(21)22/h3-17,24,26-27H,1-2H3/t17-,24+/m0/s1
InChIKeyWLBYVSGCKDROEZ-BXKMTCNYSA-N
MW384.48 g/mol
LogP5.45
Rot. Bonds7

About (2R)-1-(1H-indol-3-yl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylethanone

(2R)-1-(1H-indol-3-yl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylethanone (PubChem CID 31443537) has the molecular formula C25H24N2O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is (2R)-1-(1H-indol-3-yl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylethanone.

Molecular Properties

Compound Name(2R)-1-(1H-indol-3-yl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylethanone
PubChem CID31443537
Molecular FormulaC25H24N2O2
Molecular Weight384.48 g/mol
Exact Mass384.18
IUPAC Name(2R)-1-(1H-indol-3-yl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylethanone
SMILESCOc1ccccc1[C@H](C)N[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C25H24N2O2/c1-17(19-12-7-9-15-23(19)29-2)27-24(18-10-4-3-5-11-18)25(28)21-16-26-22-14-8-6-13-20(21)22/h3-17,24,26-27H,1-2H3/t17-,24+/m0/s1
InChIKeyWLBYVSGCKDROEZ-BXKMTCNYSA-N
XLogP5.45
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(1H-indol-3-yl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylethanone with MolForge

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Related Compounds

(2S)-2-[[(1R)-1-(furan-2-yl)ethyl]amino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 9441385
2-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]-1-(1H-indol-3-yl)-2-phenylethanone
CID 17449108
(2R)-1-(1H-indol-3-yl)-2-(2-methoxyethylamino)-2-phenylethanone
CID 9356665
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]-[(1S)-1-(2-methoxyphenyl)ethyl]azanium
CID 9116558
1-(1H-indol-3-yl)-2-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-2-phenylethanone
CID 86728658
1-(1H-indol-3-yl)-2-[(6-methoxypyrazin-2-yl)amino]-2-phenylethanone
CID 86728916
(2S)-2-amino-3-(1H-indol-3-yl)-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 119955955
(2S,3R)-2-hydroxy-1-(1H-indol-3-yl)-3-(2-methoxyphenyl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 26367394
2-(3-ethoxypropylamino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 42916880
(2R)-1-(1H-indol-3-yl)-2-[[(R)-phenyl(thiophen-2-yl)methyl]amino]propan-1-one
CID 8864137
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 101138067
2-(3-hydroxyanilino)-1-(1H-indol-3-yl)-2-phenylethanone
CID 86729082

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(1H-indol-3-yl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylethanone?
The IUPAC name of (2R)-1-(1H-indol-3-yl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylethanone (CID 31443537) is (2R)-1-(1H-indol-3-yl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylethanone.
What is the SMILES notation for (2R)-1-(1H-indol-3-yl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylethanone?
The canonical SMILES for (2R)-1-(1H-indol-3-yl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylethanone is COc1ccccc1[C@H](C)N[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of (2R)-1-(1H-indol-3-yl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylethanone?
The InChIKey is WLBYVSGCKDROEZ-BXKMTCNYSA-N. The full InChI is InChI=1S/C25H24N2O2/c1-17(19-12-7-9-15-23(19)29-2)27-24(18-10-4-3-5-11-18)25(28)21-16-26-22-14-8-6-13-20(21)22/h3-17,24,26-27H,1-2H3/t17-,24+/m0/s1.
What are the key properties of (2R)-1-(1H-indol-3-yl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylethanone?
(2R)-1-(1H-indol-3-yl)-2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylethanone has a molecular weight of 384.48 g/mol, XLogP of 5.45, 7 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-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylethanone is sourced from PubChem (CID 31443537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).