methyl 1-[2-(3-methoxyphenoxy)butanoyl]indole-3-carboxylate

C21H21NO5 — CID 133167411

IUPACmethyl 1-[2-(3-methoxyphenoxy)butanoyl]indole-3-carboxylate
SMILESCCC(Oc1cccc(OC)c1)C(=O)n1cc(C(=O)OC)c2ccccc21
InChIInChI=1S/C21H21NO5/c1-4-19(27-15-9-7-8-14(12-15)25-2)20(23)22-13-17(21(24)26-3)16-10-5-6-11-18(16)22/h5-13,19H,4H2,1-3H3
InChIKeyAFALMBGNFWPPQL-UHFFFAOYSA-N
MW367.40 g/mol
LogP3.93
Rot. Bonds6

About methyl 1-[2-(3-methoxyphenoxy)butanoyl]indole-3-carboxylate

methyl 1-[2-(3-methoxyphenoxy)butanoyl]indole-3-carboxylate (PubChem CID 133167411) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is methyl 1-[2-(3-methoxyphenoxy)butanoyl]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(3-methoxyphenoxy)butanoyl]indole-3-carboxylate
PubChem CID133167411
Molecular FormulaC21H21NO5
Molecular Weight367.40 g/mol
Exact Mass367.14
IUPAC Namemethyl 1-[2-(3-methoxyphenoxy)butanoyl]indole-3-carboxylate
SMILESCCC(Oc1cccc(OC)c1)C(=O)n1cc(C(=O)OC)c2ccccc21
InChIInChI=1S/C21H21NO5/c1-4-19(27-15-9-7-8-14(12-15)25-2)20(23)22-13-17(21(24)26-3)16-10-5-6-11-18(16)22/h5-13,19H,4H2,1-3H3
InChIKeyAFALMBGNFWPPQL-UHFFFAOYSA-N
XLogP3.93
TPSA66.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-[2-(3-methoxyphenoxy)butanoyl]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-[(2R)-2-(3-methylphenoxy)propanoyl]indole-3-carboxylate
CID 98825918
methyl 1-(3-propan-2-yloxybenzoyl)indole-3-carboxylate
CID 8779097
methyl 1-(4-methoxybenzoyl)indole-3-carboxylate
CID 704184
methyl 1-[2-(4-fluorophenoxy)propanoyl]indole-3-carboxylate
CID 133167372
methyl 1-(2-phenoxyacetyl)indole-3-carboxylate
CID 4039555
methyl 1-[2-(4-chloro-3-methylphenoxy)propanoyl]indole-3-carboxylate
CID 17308648
1-(3-methoxybenzoyl)indole-3-carbohydrazide
CID 91690599
(2R)-2-(3-methoxyphenoxy)butanoate
CID 7022552
methyl 1-(4-oxopentanoyl)indole-3-carboxylate
CID 46243075
N-benzyl-2-(3-methoxyphenoxy)butanamide
CID 13206446
4-[(2S)-2-(3-methoxyphenoxy)butanoyl]piperazine-1-carbaldehyde
CID 99956942

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(3-methoxyphenoxy)butanoyl]indole-3-carboxylate?
The IUPAC name of methyl 1-[2-(3-methoxyphenoxy)butanoyl]indole-3-carboxylate (CID 133167411) is methyl 1-[2-(3-methoxyphenoxy)butanoyl]indole-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(3-methoxyphenoxy)butanoyl]indole-3-carboxylate?
The canonical SMILES for methyl 1-[2-(3-methoxyphenoxy)butanoyl]indole-3-carboxylate is CCC(Oc1cccc(OC)c1)C(=O)n1cc(C(=O)OC)c2ccccc21.
What is the InChIKey of methyl 1-[2-(3-methoxyphenoxy)butanoyl]indole-3-carboxylate?
The InChIKey is AFALMBGNFWPPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-4-19(27-15-9-7-8-14(12-15)25-2)20(23)22-13-17(21(24)26-3)16-10-5-6-11-18(16)22/h5-13,19H,4H2,1-3H3.
What are the key properties of methyl 1-[2-(3-methoxyphenoxy)butanoyl]indole-3-carboxylate?
methyl 1-[2-(3-methoxyphenoxy)butanoyl]indole-3-carboxylate has a molecular weight of 367.40 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(3-methoxyphenoxy)butanoyl]indole-3-carboxylate is sourced from PubChem (CID 133167411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).