ethyl 3-[[2-(1H-indol-3-yl)acetyl]amino]-3-(3-methoxyphenyl)propanoate

C22H24N2O4 — CID 55876805

IUPACethyl 3-[[2-(1H-indol-3-yl)acetyl]amino]-3-(3-methoxyphenyl)propanoate
SMILESCCOC(=O)CC(NC(=O)Cc1c[nH]c2ccccc12)c1cccc(OC)c1
InChIInChI=1S/C22H24N2O4/c1-3-28-22(26)13-20(15-7-6-8-17(11-15)27-2)24-21(25)12-16-14-23-19-10-5-4-9-18(16)19/h4-11,14,20,23H,3,12-13H2,1-2H3,(H,24,25)
InChIKeyCJDALKLTANOJSM-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.53
Rot. Bonds8

About ethyl 3-[[2-(1H-indol-3-yl)acetyl]amino]-3-(3-methoxyphenyl)propanoate

ethyl 3-[[2-(1H-indol-3-yl)acetyl]amino]-3-(3-methoxyphenyl)propanoate (PubChem CID 55876805) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is ethyl 3-[[2-(1H-indol-3-yl)acetyl]amino]-3-(3-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-(1H-indol-3-yl)acetyl]amino]-3-(3-methoxyphenyl)propanoate
PubChem CID55876805
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Nameethyl 3-[[2-(1H-indol-3-yl)acetyl]amino]-3-(3-methoxyphenyl)propanoate
SMILESCCOC(=O)CC(NC(=O)Cc1c[nH]c2ccccc12)c1cccc(OC)c1
InChIInChI=1S/C22H24N2O4/c1-3-28-22(26)13-20(15-7-6-8-17(11-15)27-2)24-21(25)12-16-14-23-19-10-5-4-9-18(16)19/h4-11,14,20,23H,3,12-13H2,1-2H3,(H,24,25)
InChIKeyCJDALKLTANOJSM-UHFFFAOYSA-N
XLogP3.53
TPSA80.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 3-[[2-(1H-indol-3-yl)acetyl]amino]-3-(3-methoxyphenyl)propanoate with MolForge

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Related Compounds

methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
CID 40855593
N-[1-(3-chlorophenyl)propyl]-2-(1H-indol-3-yl)acetamide
CID 46463279
ethyl 3-(1H-indol-3-ylmethylamino)-3-oxopropanoate
CID 115138557
ethyl (3S)-3-(3-fluorophenyl)-3-(1H-indole-3-carbonylamino)propanoate
CID 163773254
N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 9451408
2-(1H-indol-3-yl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 46521724
N-[(1S)-3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxo-1-phenylpropyl]acetamide
CID 41040985
ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate
CID 65233774
ethyl 3-(3-methoxyphenyl)-3-[[2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate
CID 55878079
3-(1H-indol-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4782159
N-[(1S)-1,2-diphenylethyl]-2-(1H-indol-3-yl)acetamide
CID 9442039
(2S)-2-amino-3-(1H-indol-3-yl)-N-(3-methoxyphenyl)propanamide
CID 22691562

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-(1H-indol-3-yl)acetyl]amino]-3-(3-methoxyphenyl)propanoate?
The IUPAC name of ethyl 3-[[2-(1H-indol-3-yl)acetyl]amino]-3-(3-methoxyphenyl)propanoate (CID 55876805) is ethyl 3-[[2-(1H-indol-3-yl)acetyl]amino]-3-(3-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-[[2-(1H-indol-3-yl)acetyl]amino]-3-(3-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 3-[[2-(1H-indol-3-yl)acetyl]amino]-3-(3-methoxyphenyl)propanoate is CCOC(=O)CC(NC(=O)Cc1c[nH]c2ccccc12)c1cccc(OC)c1.
What is the InChIKey of ethyl 3-[[2-(1H-indol-3-yl)acetyl]amino]-3-(3-methoxyphenyl)propanoate?
The InChIKey is CJDALKLTANOJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-3-28-22(26)13-20(15-7-6-8-17(11-15)27-2)24-21(25)12-16-14-23-19-10-5-4-9-18(16)19/h4-11,14,20,23H,3,12-13H2,1-2H3,(H,24,25).
What are the key properties of ethyl 3-[[2-(1H-indol-3-yl)acetyl]amino]-3-(3-methoxyphenyl)propanoate?
ethyl 3-[[2-(1H-indol-3-yl)acetyl]amino]-3-(3-methoxyphenyl)propanoate has a molecular weight of 380.44 g/mol, XLogP of 3.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-(1H-indol-3-yl)acetyl]amino]-3-(3-methoxyphenyl)propanoate is sourced from PubChem (CID 55876805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).