methyl 1-[(2R)-2-(3-methylphenoxy)propanoyl]indole-3-carboxylate

C20H19NO4 — CID 98825918

IUPACmethyl 1-[(2R)-2-(3-methylphenoxy)propanoyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)[C@@H](C)Oc2cccc(C)c2)c2ccccc12
InChIInChI=1S/C20H19NO4/c1-13-7-6-8-15(11-13)25-14(2)19(22)21-12-17(20(23)24-3)16-9-4-5-10-18(16)21/h4-12,14H,1-3H3/t14-/m1/s1
InChIKeyQFLPRPDAWHCFNH-CQSZACIVSA-N
MW337.38 g/mol
LogP3.84
Rot. Bonds4

About methyl 1-[(2R)-2-(3-methylphenoxy)propanoyl]indole-3-carboxylate

methyl 1-[(2R)-2-(3-methylphenoxy)propanoyl]indole-3-carboxylate (PubChem CID 98825918) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is methyl 1-[(2R)-2-(3-methylphenoxy)propanoyl]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2R)-2-(3-methylphenoxy)propanoyl]indole-3-carboxylate
PubChem CID98825918
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Namemethyl 1-[(2R)-2-(3-methylphenoxy)propanoyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)[C@@H](C)Oc2cccc(C)c2)c2ccccc12
InChIInChI=1S/C20H19NO4/c1-13-7-6-8-15(11-13)25-14(2)19(22)21-12-17(20(23)24-3)16-9-4-5-10-18(16)21/h4-12,14H,1-3H3/t14-/m1/s1
InChIKeyQFLPRPDAWHCFNH-CQSZACIVSA-N
XLogP3.84
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-[(2R)-2-(3-methylphenoxy)propanoyl]indole-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-[(2R)-2-(4-methoxyphenoxy)propanoyl]indole-3-carboxylate
CID 2202954
methyl 1-[2-(4-chloro-3-methylphenoxy)propanoyl]indole-3-carboxylate
CID 17308648
methyl 1-[2-(4-fluorophenoxy)propanoyl]indole-3-carboxylate
CID 133167372
methyl 1-(3-propan-2-yloxybenzoyl)indole-3-carboxylate
CID 8779097
methyl 1-[2-(3-methoxyphenoxy)butanoyl]indole-3-carboxylate
CID 133167411
methyl 1-(2,4-dimethylbenzoyl)indole-3-carboxylate
CID 925279
methyl 1-(2-phenoxyacetyl)indole-3-carboxylate
CID 4039555
methyl 4,5-dimethoxy-2-[[(2S)-2-(3-methylphenoxy)propanoyl]amino]benzoate
CID 2168029
methyl 1-[(2R)-2-(4-nitrophenyl)propanoyl]indole-3-carboxylate
CID 1314031
methyl 2-methyl-3-[[(2R)-2-(3-methylphenoxy)propanoyl]amino]benzoate
CID 26076182
methyl 1-(2-methylsulfanylbenzoyl)indole-3-carboxylate
CID 8795582
methyl 1-[(E)-1-bromo-2-iodo-2-phenylethenyl]indole-3-carboxylate
CID 102359655

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2R)-2-(3-methylphenoxy)propanoyl]indole-3-carboxylate?
The IUPAC name of methyl 1-[(2R)-2-(3-methylphenoxy)propanoyl]indole-3-carboxylate (CID 98825918) is methyl 1-[(2R)-2-(3-methylphenoxy)propanoyl]indole-3-carboxylate.
What is the SMILES notation for methyl 1-[(2R)-2-(3-methylphenoxy)propanoyl]indole-3-carboxylate?
The canonical SMILES for methyl 1-[(2R)-2-(3-methylphenoxy)propanoyl]indole-3-carboxylate is COC(=O)c1cn(C(=O)[C@@H](C)Oc2cccc(C)c2)c2ccccc12.
What is the InChIKey of methyl 1-[(2R)-2-(3-methylphenoxy)propanoyl]indole-3-carboxylate?
The InChIKey is QFLPRPDAWHCFNH-CQSZACIVSA-N. The full InChI is InChI=1S/C20H19NO4/c1-13-7-6-8-15(11-13)25-14(2)19(22)21-12-17(20(23)24-3)16-9-4-5-10-18(16)21/h4-12,14H,1-3H3/t14-/m1/s1.
What are the key properties of methyl 1-[(2R)-2-(3-methylphenoxy)propanoyl]indole-3-carboxylate?
methyl 1-[(2R)-2-(3-methylphenoxy)propanoyl]indole-3-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2R)-2-(3-methylphenoxy)propanoyl]indole-3-carboxylate is sourced from PubChem (CID 98825918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).