methyl 3-(1H-indol-3-yl)-2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]propanoate

C23H22N2O4 — CID 73421738

IUPACmethyl 3-(1H-indol-3-yl)-2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)Cc1coc2cc(C)ccc12
InChIInChI=1S/C23H22N2O4/c1-14-7-8-18-16(13-29-21(18)9-14)11-22(26)25-20(23(27)28-2)10-15-12-24-19-6-4-3-5-17(15)19/h3-9,12-13,20,24H,10-11H2,1-2H3,(H,25,26)
InChIKeyJXBJPMUIEXGTRF-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.67
Rot. Bonds6

About methyl 3-(1H-indol-3-yl)-2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]propanoate

methyl 3-(1H-indol-3-yl)-2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]propanoate (PubChem CID 73421738) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is methyl 3-(1H-indol-3-yl)-2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(1H-indol-3-yl)-2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]propanoate
PubChem CID73421738
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Namemethyl 3-(1H-indol-3-yl)-2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]propanoate
SMILESCOC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)Cc1coc2cc(C)ccc12
InChIInChI=1S/C23H22N2O4/c1-14-7-8-18-16(13-29-21(18)9-14)11-22(26)25-20(23(27)28-2)10-15-12-24-19-6-4-3-5-17(15)19/h3-9,12-13,20,24H,10-11H2,1-2H3,(H,25,26)
InChIKeyJXBJPMUIEXGTRF-UHFFFAOYSA-N
XLogP3.67
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-(1H-indol-3-yl)-2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]propanoate with MolForge

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Related Compounds

methyl (2S)-2-[[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 40872866
methyl 2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 17459454
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 40819780
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 2-(6-methyl-1-benzofuran-3-yl)acetate
CID 8846060
methyl 3-(1H-indol-3-yl)-2-[[4-(4-methylphenyl)-4-oxobutanoyl]amino]propanoate
CID 74631865
methyl 3-(1H-indol-3-yl)-2-[[2-[(4-methylbenzoyl)amino]acetyl]amino]propanoate
CID 42897011
methyl (2S)-3-(1H-indol-3-yl)-2-(methoxycarbonylamino)propanoate
CID 7018187
methyl 3-(1H-indol-3-yl)-2-[(2-phenylsulfanylacetyl)amino]propanoate
CID 78512807
methyl (2S)-2-[[(2S)-2-[(2-aminooxyacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate
CID 170262354
methyl (2R)-3-(1H-indol-3-yl)-2-[(2-phenylsulfanylacetyl)amino]propanoate
CID 7613380
methyl (2S)-3-(1H-indol-3-yl)-2-[[2-(2,4,6-trimethylphenyl)sulfanylacetyl]amino]propanoate
CID 8682420
methyl 3-(1H-indol-3-yl)-2-(3-phenoxypropanoylamino)propanoate
CID 78779971

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1H-indol-3-yl)-2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]propanoate?
The IUPAC name of methyl 3-(1H-indol-3-yl)-2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]propanoate (CID 73421738) is methyl 3-(1H-indol-3-yl)-2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-(1H-indol-3-yl)-2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl 3-(1H-indol-3-yl)-2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]propanoate is COC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)Cc1coc2cc(C)ccc12.
What is the InChIKey of methyl 3-(1H-indol-3-yl)-2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]propanoate?
The InChIKey is JXBJPMUIEXGTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-14-7-8-18-16(13-29-21(18)9-14)11-22(26)25-20(23(27)28-2)10-15-12-24-19-6-4-3-5-17(15)19/h3-9,12-13,20,24H,10-11H2,1-2H3,(H,25,26).
What are the key properties of methyl 3-(1H-indol-3-yl)-2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]propanoate?
methyl 3-(1H-indol-3-yl)-2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]propanoate has a molecular weight of 390.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1H-indol-3-yl)-2-[[2-(6-methyl-1-benzofuran-3-yl)acetyl]amino]propanoate is sourced from PubChem (CID 73421738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).