methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate

C22H24N2O5 — CID 40855593

IUPACmethyl (3R)-3-(3,4-dimethoxyphenyl)-3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
SMILESCOC(=O)C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc(OC)c(OC)c1
InChIInChI=1S/C22H24N2O5/c1-27-19-9-8-14(10-20(19)28-2)18(12-22(26)29-3)24-21(25)11-15-13-23-17-7-5-4-6-16(15)17/h4-10,13,18,23H,11-12H2,1-3H3,(H,24,25)/t18-/m1/s1
InChIKeyUENNFCFGFFMWGA-GOSISDBHSA-N
MW396.44 g/mol
LogP3.15
Rot. Bonds8

About methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate

methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate (PubChem CID 40855593) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-(3,4-dimethoxyphenyl)-3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
PubChem CID40855593
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Namemethyl (3R)-3-(3,4-dimethoxyphenyl)-3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate
SMILESCOC(=O)C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc(OC)c(OC)c1
InChIInChI=1S/C22H24N2O5/c1-27-19-9-8-14(10-20(19)28-2)18(12-22(26)29-3)24-21(25)11-15-13-23-17-7-5-4-6-16(15)17/h4-10,13,18,23H,11-12H2,1-3H3,(H,24,25)/t18-/m1/s1
InChIKeyUENNFCFGFFMWGA-GOSISDBHSA-N
XLogP3.15
TPSA89.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate with MolForge

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Related Compounds

ethyl 3-[[2-(1H-indol-3-yl)acetyl]amino]-3-(3-methoxyphenyl)propanoate
CID 55876805
methyl 3-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 46637103
methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 40856382
N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 9451408
(3S)-3-(3,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate
CID 6926087
N-[1-(3-chlorophenyl)propyl]-2-(1H-indol-3-yl)acetamide
CID 46463279
N'-[1-(3,4-dimethoxyphenyl)ethyl]-N-[2-(1H-indol-3-yl)ethyl]oxamide
CID 108510193
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-2-(1H-indol-3-yl)acetamide
CID 46517704
methyl 3-(4-aminopentanoylamino)-3-(3,4-dimethoxyphenyl)propanoate
CID 120559435
methyl 3-[[2-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 55440520
methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[4-hydroxy-1-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-oxo-3-pyridinyl]propanoate
CID 124880023
methyl 3-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 55440930

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate?
The IUPAC name of methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate (CID 40855593) is methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate.
What is the SMILES notation for methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate?
The canonical SMILES for methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate is COC(=O)C[C@@H](NC(=O)Cc1c[nH]c2ccccc12)c1ccc(OC)c(OC)c1.
What is the InChIKey of methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate?
The InChIKey is UENNFCFGFFMWGA-GOSISDBHSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-27-19-9-8-14(10-20(19)28-2)18(12-22(26)29-3)24-21(25)11-15-13-23-17-7-5-4-6-16(15)17/h4-10,13,18,23H,11-12H2,1-3H3,(H,24,25)/t18-/m1/s1.
What are the key properties of methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate?
methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate has a molecular weight of 396.44 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[[2-(1H-indol-3-yl)acetyl]amino]propanoate is sourced from PubChem (CID 40855593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).