ethyl 2-(ethylamino)-3-[(3S)-3-(1H-indol-3-yl)-1-methyl-2-oxoindol-3-yl]propanoate

C24H27N3O3 — CID 132524780

IUPACethyl 2-(ethylamino)-3-[(3S)-3-(1H-indol-3-yl)-1-methyl-2-oxoindol-3-yl]propanoate
SMILESCCNC(C[C@@]1(c2c[nH]c3ccccc23)C(=O)N(C)c2ccccc21)C(=O)OCC
InChIInChI=1S/C24H27N3O3/c1-4-25-20(22(28)30-5-2)14-24(18-15-26-19-12-8-6-10-16(18)19)17-11-7-9-13-21(17)27(3)23(24)29/h6-13,15,20,25-26H,4-5,14H2,1-3H3/t20?,24-/m1/s1
InChIKeyJKOGNNPRDUUFNR-PIFIWZBESA-N
MW405.50 g/mol
LogP3.36
Rot. Bonds7

About ethyl 2-(ethylamino)-3-[(3S)-3-(1H-indol-3-yl)-1-methyl-2-oxoindol-3-yl]propanoate

ethyl 2-(ethylamino)-3-[(3S)-3-(1H-indol-3-yl)-1-methyl-2-oxoindol-3-yl]propanoate (PubChem CID 132524780) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is ethyl 2-(ethylamino)-3-[(3S)-3-(1H-indol-3-yl)-1-methyl-2-oxoindol-3-yl]propanoate.

Molecular Properties

Compound Nameethyl 2-(ethylamino)-3-[(3S)-3-(1H-indol-3-yl)-1-methyl-2-oxoindol-3-yl]propanoate
PubChem CID132524780
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Nameethyl 2-(ethylamino)-3-[(3S)-3-(1H-indol-3-yl)-1-methyl-2-oxoindol-3-yl]propanoate
SMILESCCNC(C[C@@]1(c2c[nH]c3ccccc23)C(=O)N(C)c2ccccc21)C(=O)OCC
InChIInChI=1S/C24H27N3O3/c1-4-25-20(22(28)30-5-2)14-24(18-15-26-19-12-8-6-10-16(18)19)17-11-7-9-13-21(17)27(3)23(24)29/h6-13,15,20,25-26H,4-5,14H2,1-3H3/t20?,24-/m1/s1
InChIKeyJKOGNNPRDUUFNR-PIFIWZBESA-N
XLogP3.36
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(ethylamino)-3-[(3S)-3-(1H-indol-3-yl)-1-methyl-2-oxoindol-3-yl]propanoate with MolForge

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Related Compounds

ethyl 3-fluoro-1-methyl-2-oxoindole-3-carboxylate
CID 135043371
[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 1H-indole-3-carboxylate
CID 7492880
ethyl (2S)-3-(1H-indol-3-yl)-2-methylpropanoate
CID 170617475
[(3E)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-(1H-indol-3-yl)acetate
CID 98416141
ethyl acetate;(1R,9S)-9-(1H-indol-3-yl)-5-methyl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-7,10,12,14-tetraene-3,4,6-trione
CID 139116280
(2S)-2-(ethylamino)-3-(1H-indol-3-yl)propanethioic S-acid
CID 175924820
ethyl 3-amino-2-(1H-indol-3-yl)-3-oxopropanoate
CID 67232223
ethyl 4-[1-(1H-indol-3-yl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 113209136
ethyl 2-(1,3,3-trimethylindol-2-ylidene)acetate
CID 3275142
ethyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate
CID 688583
5-O'-ethyl 3-O'-methyl (3R)-2'-amino-1,6'-dimethyl-2-oxospiro[indole-3,4'-pyran]-3',5'-dicarboxylate
CID 1215547
[2-[[(2S)-1-ethoxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-trimethylazanium
CID 57007606

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethylamino)-3-[(3S)-3-(1H-indol-3-yl)-1-methyl-2-oxoindol-3-yl]propanoate?
The IUPAC name of ethyl 2-(ethylamino)-3-[(3S)-3-(1H-indol-3-yl)-1-methyl-2-oxoindol-3-yl]propanoate (CID 132524780) is ethyl 2-(ethylamino)-3-[(3S)-3-(1H-indol-3-yl)-1-methyl-2-oxoindol-3-yl]propanoate.
What is the SMILES notation for ethyl 2-(ethylamino)-3-[(3S)-3-(1H-indol-3-yl)-1-methyl-2-oxoindol-3-yl]propanoate?
The canonical SMILES for ethyl 2-(ethylamino)-3-[(3S)-3-(1H-indol-3-yl)-1-methyl-2-oxoindol-3-yl]propanoate is CCNC(C[C@@]1(c2c[nH]c3ccccc23)C(=O)N(C)c2ccccc21)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethylamino)-3-[(3S)-3-(1H-indol-3-yl)-1-methyl-2-oxoindol-3-yl]propanoate?
The InChIKey is JKOGNNPRDUUFNR-PIFIWZBESA-N. The full InChI is InChI=1S/C24H27N3O3/c1-4-25-20(22(28)30-5-2)14-24(18-15-26-19-12-8-6-10-16(18)19)17-11-7-9-13-21(17)27(3)23(24)29/h6-13,15,20,25-26H,4-5,14H2,1-3H3/t20?,24-/m1/s1.
What are the key properties of ethyl 2-(ethylamino)-3-[(3S)-3-(1H-indol-3-yl)-1-methyl-2-oxoindol-3-yl]propanoate?
ethyl 2-(ethylamino)-3-[(3S)-3-(1H-indol-3-yl)-1-methyl-2-oxoindol-3-yl]propanoate has a molecular weight of 405.50 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethylamino)-3-[(3S)-3-(1H-indol-3-yl)-1-methyl-2-oxoindol-3-yl]propanoate is sourced from PubChem (CID 132524780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).