methyl 1-[(2R)-2-(4-methoxyphenoxy)propanoyl]indole-3-carboxylate

C20H19NO5 — CID 2202954

IUPACmethyl 1-[(2R)-2-(4-methoxyphenoxy)propanoyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)[C@@H](C)Oc2ccc(OC)cc2)c2ccccc12
InChIInChI=1S/C20H19NO5/c1-13(26-15-10-8-14(24-2)9-11-15)19(22)21-12-17(20(23)25-3)16-6-4-5-7-18(16)21/h4-13H,1-3H3/t13-/m1/s1
InChIKeyPZAKDXZIXUKBSU-CYBMUJFWSA-N
MW353.37 g/mol
LogP3.54
Rot. Bonds5

About methyl 1-[(2R)-2-(4-methoxyphenoxy)propanoyl]indole-3-carboxylate

methyl 1-[(2R)-2-(4-methoxyphenoxy)propanoyl]indole-3-carboxylate (PubChem CID 2202954) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is methyl 1-[(2R)-2-(4-methoxyphenoxy)propanoyl]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(2R)-2-(4-methoxyphenoxy)propanoyl]indole-3-carboxylate
PubChem CID2202954
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Namemethyl 1-[(2R)-2-(4-methoxyphenoxy)propanoyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)[C@@H](C)Oc2ccc(OC)cc2)c2ccccc12
InChIInChI=1S/C20H19NO5/c1-13(26-15-10-8-14(24-2)9-11-15)19(22)21-12-17(20(23)25-3)16-6-4-5-7-18(16)21/h4-13H,1-3H3/t13-/m1/s1
InChIKeyPZAKDXZIXUKBSU-CYBMUJFWSA-N
XLogP3.54
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-[(2R)-2-(4-methoxyphenoxy)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-[2-(4-fluorophenoxy)propanoyl]indole-3-carboxylate
CID 133167372
methyl 1-[(2R)-2-(3-methylphenoxy)propanoyl]indole-3-carboxylate
CID 98825918
methyl 1-[2-(4-chloro-3-methylphenoxy)propanoyl]indole-3-carboxylate
CID 17308648
methyl 1-(4-methoxybenzoyl)indole-3-carboxylate
CID 704184
methyl 1-[2-(3-methoxyphenoxy)butanoyl]indole-3-carboxylate
CID 133167411
methyl 1-[2-(4-methoxyphenyl)ethynyl]indole-3-carboxylate
CID 24776972
methyl 1-(3-propan-2-yloxybenzoyl)indole-3-carboxylate
CID 8779097
methyl 1-[(2R)-2-(4-nitrophenyl)propanoyl]indole-3-carboxylate
CID 1314031
methyl 1-(4-oxopentanoyl)indole-3-carboxylate
CID 46243075
methyl 1-(2-methylsulfanylbenzoyl)indole-3-carboxylate
CID 8795582
methyl 1-(2-phenoxyacetyl)indole-3-carboxylate
CID 4039555
methyl 2-[[(2S)-2-(4-methoxyphenoxy)propanoyl]amino]benzoate
CID 719429

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(2R)-2-(4-methoxyphenoxy)propanoyl]indole-3-carboxylate?
The IUPAC name of methyl 1-[(2R)-2-(4-methoxyphenoxy)propanoyl]indole-3-carboxylate (CID 2202954) is methyl 1-[(2R)-2-(4-methoxyphenoxy)propanoyl]indole-3-carboxylate.
What is the SMILES notation for methyl 1-[(2R)-2-(4-methoxyphenoxy)propanoyl]indole-3-carboxylate?
The canonical SMILES for methyl 1-[(2R)-2-(4-methoxyphenoxy)propanoyl]indole-3-carboxylate is COC(=O)c1cn(C(=O)[C@@H](C)Oc2ccc(OC)cc2)c2ccccc12.
What is the InChIKey of methyl 1-[(2R)-2-(4-methoxyphenoxy)propanoyl]indole-3-carboxylate?
The InChIKey is PZAKDXZIXUKBSU-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19NO5/c1-13(26-15-10-8-14(24-2)9-11-15)19(22)21-12-17(20(23)25-3)16-6-4-5-7-18(16)21/h4-13H,1-3H3/t13-/m1/s1.
What are the key properties of methyl 1-[(2R)-2-(4-methoxyphenoxy)propanoyl]indole-3-carboxylate?
methyl 1-[(2R)-2-(4-methoxyphenoxy)propanoyl]indole-3-carboxylate has a molecular weight of 353.37 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(2R)-2-(4-methoxyphenoxy)propanoyl]indole-3-carboxylate is sourced from PubChem (CID 2202954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).