(2R)-1-(2,3-dihydroindol-1-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propan-1-one

C22H28N2O3 — CID 8515151

IUPAC(2R)-1-(2,3-dihydroindol-1-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propan-1-one
SMILESCCOc1ccc(CN(C)[C@H](C)C(=O)N2CCc3ccccc32)cc1OC
InChIInChI=1S/C22H28N2O3/c1-5-27-20-11-10-17(14-21(20)26-4)15-23(3)16(2)22(25)24-13-12-18-8-6-7-9-19(18)24/h6-11,14,16H,5,12-13,15H2,1-4H3/t16-/m1/s1
InChIKeyYBGBDBCAEPELOR-MRXNPFEDSA-N
MW368.48 g/mol
LogP3.50
Rot. Bonds7

About (2R)-1-(2,3-dihydroindol-1-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propan-1-one

(2R)-1-(2,3-dihydroindol-1-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propan-1-one (PubChem CID 8515151) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is (2R)-1-(2,3-dihydroindol-1-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propan-1-one.

Molecular Properties

Compound Name(2R)-1-(2,3-dihydroindol-1-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propan-1-one
PubChem CID8515151
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC Name(2R)-1-(2,3-dihydroindol-1-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propan-1-one
SMILESCCOc1ccc(CN(C)[C@H](C)C(=O)N2CCc3ccccc32)cc1OC
InChIInChI=1S/C22H28N2O3/c1-5-27-20-11-10-17(14-21(20)26-4)15-23(3)16(2)22(25)24-13-12-18-8-6-7-9-19(18)24/h6-11,14,16H,5,12-13,15H2,1-4H3/t16-/m1/s1
InChIKeyYBGBDBCAEPELOR-MRXNPFEDSA-N
XLogP3.50
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-1-(2,3-dihydroindol-1-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(2,3-dihydroindol-1-yl)-2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]propan-1-one
CID 39948944
1-[(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propanoyl]imidazolidin-2-one
CID 8694902
(2S)-2-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 8774784
N-(3,4-diethoxyphenyl)-2-[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]acetamide
CID 46801791
2-[(4-bromophenyl)methyl-methylamino]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4818858
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(3-fluorophenyl)methyl-methylamino]propan-1-one
CID 8516194
1-(2,3-dihydroindol-1-yl)-2-[methyl-[(4-methylsulfanylphenyl)methyl]amino]propan-1-one
CID 4881919
(2S)-1-(2,3-dihydroindol-1-yl)-2-[2-(3,4-dimethoxyphenyl)ethylamino]propan-1-one
CID 2455303
4-[[[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methylamino]methyl]-N-methylbenzamide
CID 51227478
[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 3-ethoxy-4-methoxybenzoate
CID 7558649
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 42900917
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(2-methoxyphenoxy)ethyl-methylamino]propan-1-one
CID 78903084

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,3-dihydroindol-1-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propan-1-one?
The IUPAC name of (2R)-1-(2,3-dihydroindol-1-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propan-1-one (CID 8515151) is (2R)-1-(2,3-dihydroindol-1-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propan-1-one.
What is the SMILES notation for (2R)-1-(2,3-dihydroindol-1-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propan-1-one?
The canonical SMILES for (2R)-1-(2,3-dihydroindol-1-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propan-1-one is CCOc1ccc(CN(C)[C@H](C)C(=O)N2CCc3ccccc32)cc1OC.
What is the InChIKey of (2R)-1-(2,3-dihydroindol-1-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propan-1-one?
The InChIKey is YBGBDBCAEPELOR-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-5-27-20-11-10-17(14-21(20)26-4)15-23(3)16(2)22(25)24-13-12-18-8-6-7-9-19(18)24/h6-11,14,16H,5,12-13,15H2,1-4H3/t16-/m1/s1.
What are the key properties of (2R)-1-(2,3-dihydroindol-1-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propan-1-one?
(2R)-1-(2,3-dihydroindol-1-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propan-1-one has a molecular weight of 368.48 g/mol, XLogP of 3.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,3-dihydroindol-1-yl)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]propan-1-one is sourced from PubChem (CID 8515151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).