methyl 1-(3-propan-2-yloxybenzoyl)indole-3-carboxylate

C20H19NO4 — CID 8779097

IUPACmethyl 1-(3-propan-2-yloxybenzoyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)c2cccc(OC(C)C)c2)c2ccccc12
InChIInChI=1S/C20H19NO4/c1-13(2)25-15-8-6-7-14(11-15)19(22)21-12-17(20(23)24-3)16-9-4-5-10-18(16)21/h4-13H,1-3H3
InChIKeyTZUIACLJXLYGRY-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.90
Rot. Bonds4

About methyl 1-(3-propan-2-yloxybenzoyl)indole-3-carboxylate

methyl 1-(3-propan-2-yloxybenzoyl)indole-3-carboxylate (PubChem CID 8779097) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is methyl 1-(3-propan-2-yloxybenzoyl)indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-propan-2-yloxybenzoyl)indole-3-carboxylate
PubChem CID8779097
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Namemethyl 1-(3-propan-2-yloxybenzoyl)indole-3-carboxylate
SMILESCOC(=O)c1cn(C(=O)c2cccc(OC(C)C)c2)c2ccccc12
InChIInChI=1S/C20H19NO4/c1-13(2)25-15-8-6-7-14(11-15)19(22)21-12-17(20(23)24-3)16-9-4-5-10-18(16)21/h4-13H,1-3H3
InChIKeyTZUIACLJXLYGRY-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-(3-propan-2-yloxybenzoyl)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

1-(3-propan-2-yloxybenzoyl)indole-3-carbonitrile
CID 90643210
methyl 1-(4-methoxybenzoyl)indole-3-carboxylate
CID 704184
1-(3-methoxybenzoyl)indole-3-carbohydrazide
CID 91690599
methyl 1-[(2R)-2-(3-methylphenoxy)propanoyl]indole-3-carboxylate
CID 98825918
methyl 1-(4-iodobenzoyl)indole-3-carboxylate
CID 1154177
methyl 1-[2-(3-methoxyphenoxy)butanoyl]indole-3-carboxylate
CID 133167411
methyl 1-(2-methylsulfanylbenzoyl)indole-3-carboxylate
CID 8795582
methyl 1-(2-phenoxyacetyl)indole-3-carboxylate
CID 4039555
methyl 1-[(2R)-2-(4-methoxyphenoxy)propanoyl]indole-3-carboxylate
CID 2202954
methyl 1-(2,4-dimethylbenzoyl)indole-3-carboxylate
CID 925279
methyl 1-[2-(4-fluorophenoxy)propanoyl]indole-3-carboxylate
CID 133167372
methyl 1-(4-oxopentanoyl)indole-3-carboxylate
CID 46243075

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-propan-2-yloxybenzoyl)indole-3-carboxylate?
The IUPAC name of methyl 1-(3-propan-2-yloxybenzoyl)indole-3-carboxylate (CID 8779097) is methyl 1-(3-propan-2-yloxybenzoyl)indole-3-carboxylate.
What is the SMILES notation for methyl 1-(3-propan-2-yloxybenzoyl)indole-3-carboxylate?
The canonical SMILES for methyl 1-(3-propan-2-yloxybenzoyl)indole-3-carboxylate is COC(=O)c1cn(C(=O)c2cccc(OC(C)C)c2)c2ccccc12.
What is the InChIKey of methyl 1-(3-propan-2-yloxybenzoyl)indole-3-carboxylate?
The InChIKey is TZUIACLJXLYGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-13(2)25-15-8-6-7-14(11-15)19(22)21-12-17(20(23)24-3)16-9-4-5-10-18(16)21/h4-13H,1-3H3.
What are the key properties of methyl 1-(3-propan-2-yloxybenzoyl)indole-3-carboxylate?
methyl 1-(3-propan-2-yloxybenzoyl)indole-3-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-propan-2-yloxybenzoyl)indole-3-carboxylate is sourced from PubChem (CID 8779097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).