methyl 2-methyl-3-[2-[1-(2,3,4-trimethoxyphenyl)ethyl]-1H-indol-3-yl]propanoate

C24H29NO5 — CID 70345824

IUPACmethyl 2-methyl-3-[2-[1-(2,3,4-trimethoxyphenyl)ethyl]-1H-indol-3-yl]propanoate
SMILESCOC(=O)C(C)Cc1c(C(C)c2ccc(OC)c(OC)c2OC)[nH]c2ccccc12
InChIInChI=1S/C24H29NO5/c1-14(24(26)30-6)13-18-17-9-7-8-10-19(17)25-21(18)15(2)16-11-12-20(27-3)23(29-5)22(16)28-4/h7-12,14-15,25H,13H2,1-6H3
InChIKeyRBRIQCLQQDLBII-UHFFFAOYSA-N
MW411.50 g/mol
LogP4.70
Rot. Bonds8

About methyl 2-methyl-3-[2-[1-(2,3,4-trimethoxyphenyl)ethyl]-1H-indol-3-yl]propanoate

methyl 2-methyl-3-[2-[1-(2,3,4-trimethoxyphenyl)ethyl]-1H-indol-3-yl]propanoate (PubChem CID 70345824) has the molecular formula C24H29NO5 and a molecular weight of 411.50 g/mol. Its IUPAC name is methyl 2-methyl-3-[2-[1-(2,3,4-trimethoxyphenyl)ethyl]-1H-indol-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[2-[1-(2,3,4-trimethoxyphenyl)ethyl]-1H-indol-3-yl]propanoate
PubChem CID70345824
Molecular FormulaC24H29NO5
Molecular Weight411.50 g/mol
Exact Mass411.20
IUPAC Namemethyl 2-methyl-3-[2-[1-(2,3,4-trimethoxyphenyl)ethyl]-1H-indol-3-yl]propanoate
SMILESCOC(=O)C(C)Cc1c(C(C)c2ccc(OC)c(OC)c2OC)[nH]c2ccccc12
InChIInChI=1S/C24H29NO5/c1-14(24(26)30-6)13-18-17-9-7-8-10-19(17)25-21(18)15(2)16-11-12-20(27-3)23(29-5)22(16)28-4/h7-12,14-15,25H,13H2,1-6H3
InChIKeyRBRIQCLQQDLBII-UHFFFAOYSA-N
XLogP4.70
TPSA69.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-methyl-3-[2-[1-(2,3,4-trimethoxyphenyl)ethyl]-1H-indol-3-yl]propanoate with MolForge

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Related Compounds

ethane;methyl 3-(1H-indol-3-yl)-2-methylpropanoate
CID 169189360
3-(3,4-dimethoxyphenyl)-2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 112529669
methyl 2-chloro-2-(2,3,4-trimethoxyphenyl)acetate
CID 62226416
methyl 2-acetamido-3-(2-phenyl-1H-indol-3-yl)propanoate
CID 102519475
dimethyl 2-[(2-propan-2-ylsulfanyl-1H-indol-3-yl)methyl]propanedioate
CID 11024142
methyl (2S,3S)-3-methyl-2-[[2-(2-methyl-1H-indol-3-yl)acetyl]amino]pent-4-enoate
CID 97256616
methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate
CID 79016866
3-(1H-indol-3-yl)-2-(2,3,4-trimethoxyphenyl)propan-1-amine
CID 83975126
3-(3,4-dimethoxyphenyl)-2-methyl-N-(2-methyl-1H-indol-3-yl)propanamide
CID 112527043
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 2,3,4-trimethoxybenzoate
CID 7758516
methyl (2S)-3-(2-methyl-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 71092164
dimethyl 2-[[2-[2-(dimethylamino)ethyl]-1H-indol-3-yl]methyl]propanedioate;hydrochloride
CID 117068877

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[2-[1-(2,3,4-trimethoxyphenyl)ethyl]-1H-indol-3-yl]propanoate?
The IUPAC name of methyl 2-methyl-3-[2-[1-(2,3,4-trimethoxyphenyl)ethyl]-1H-indol-3-yl]propanoate (CID 70345824) is methyl 2-methyl-3-[2-[1-(2,3,4-trimethoxyphenyl)ethyl]-1H-indol-3-yl]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[2-[1-(2,3,4-trimethoxyphenyl)ethyl]-1H-indol-3-yl]propanoate?
The canonical SMILES for methyl 2-methyl-3-[2-[1-(2,3,4-trimethoxyphenyl)ethyl]-1H-indol-3-yl]propanoate is COC(=O)C(C)Cc1c(C(C)c2ccc(OC)c(OC)c2OC)[nH]c2ccccc12.
What is the InChIKey of methyl 2-methyl-3-[2-[1-(2,3,4-trimethoxyphenyl)ethyl]-1H-indol-3-yl]propanoate?
The InChIKey is RBRIQCLQQDLBII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO5/c1-14(24(26)30-6)13-18-17-9-7-8-10-19(17)25-21(18)15(2)16-11-12-20(27-3)23(29-5)22(16)28-4/h7-12,14-15,25H,13H2,1-6H3.
What are the key properties of methyl 2-methyl-3-[2-[1-(2,3,4-trimethoxyphenyl)ethyl]-1H-indol-3-yl]propanoate?
methyl 2-methyl-3-[2-[1-(2,3,4-trimethoxyphenyl)ethyl]-1H-indol-3-yl]propanoate has a molecular weight of 411.50 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[2-[1-(2,3,4-trimethoxyphenyl)ethyl]-1H-indol-3-yl]propanoate is sourced from PubChem (CID 70345824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).