methyl 1-[2-(3-methylphenoxy)propanoyl]-2,3-dihydroindole-5-carboxylate

C20H21NO4 — CID 134033414

IUPACmethyl 1-[2-(3-methylphenoxy)propanoyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)C(C)Oc1cccc(C)c1
InChIInChI=1S/C20H21NO4/c1-13-5-4-6-17(11-13)25-14(2)19(22)21-10-9-15-12-16(20(23)24-3)7-8-18(15)21/h4-8,11-12,14H,9-10H2,1-3H3
InChIKeyXXNFQWZRSROUCK-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.14
Rot. Bonds4

About methyl 1-[2-(3-methylphenoxy)propanoyl]-2,3-dihydroindole-5-carboxylate

methyl 1-[2-(3-methylphenoxy)propanoyl]-2,3-dihydroindole-5-carboxylate (PubChem CID 134033414) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is methyl 1-[2-(3-methylphenoxy)propanoyl]-2,3-dihydroindole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(3-methylphenoxy)propanoyl]-2,3-dihydroindole-5-carboxylate
PubChem CID134033414
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Namemethyl 1-[2-(3-methylphenoxy)propanoyl]-2,3-dihydroindole-5-carboxylate
SMILESCOC(=O)c1ccc2c(c1)CCN2C(=O)C(C)Oc1cccc(C)c1
InChIInChI=1S/C20H21NO4/c1-13-5-4-6-17(11-13)25-14(2)19(22)21-10-9-15-12-16(20(23)24-3)7-8-18(15)21/h4-8,11-12,14H,9-10H2,1-3H3
InChIKeyXXNFQWZRSROUCK-UHFFFAOYSA-N
XLogP3.14
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-methylpropanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917334
methyl 1-(2-phenoxy-2-phenylacetyl)-2,3-dihydroindole-5-carboxylate
CID 55758876
methyl 1-[3-methyl-2-[(4-methylbenzoyl)amino]butanoyl]-2,3-dihydroindole-5-carboxylate
CID 42896690
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylphenoxy)propan-1-one
CID 42998708
methyl 1-[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]-2,3-dihydroindole-5-carboxylate
CID 55514242
(2R)-2-(4-acetylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 7763850
1-(2,3-dihydroindol-1-yl)-2-(3,4-dimethylphenoxy)propan-1-one
CID 132650039
methyl 1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylpropanoyl]-2,3-dihydroindole-5-carboxylate
CID 71874787
2-(4-benzoylphenoxy)-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4878962
2-methyl-1-(5-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110713868
1-[2-(3-methylphenoxy)propanoyl]piperidin-4-one
CID 82044939

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(3-methylphenoxy)propanoyl]-2,3-dihydroindole-5-carboxylate?
The IUPAC name of methyl 1-[2-(3-methylphenoxy)propanoyl]-2,3-dihydroindole-5-carboxylate (CID 134033414) is methyl 1-[2-(3-methylphenoxy)propanoyl]-2,3-dihydroindole-5-carboxylate.
What is the SMILES notation for methyl 1-[2-(3-methylphenoxy)propanoyl]-2,3-dihydroindole-5-carboxylate?
The canonical SMILES for methyl 1-[2-(3-methylphenoxy)propanoyl]-2,3-dihydroindole-5-carboxylate is COC(=O)c1ccc2c(c1)CCN2C(=O)C(C)Oc1cccc(C)c1.
What is the InChIKey of methyl 1-[2-(3-methylphenoxy)propanoyl]-2,3-dihydroindole-5-carboxylate?
The InChIKey is XXNFQWZRSROUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-13-5-4-6-17(11-13)25-14(2)19(22)21-10-9-15-12-16(20(23)24-3)7-8-18(15)21/h4-8,11-12,14H,9-10H2,1-3H3.
What are the key properties of methyl 1-[2-(3-methylphenoxy)propanoyl]-2,3-dihydroindole-5-carboxylate?
methyl 1-[2-(3-methylphenoxy)propanoyl]-2,3-dihydroindole-5-carboxylate has a molecular weight of 339.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(3-methylphenoxy)propanoyl]-2,3-dihydroindole-5-carboxylate is sourced from PubChem (CID 134033414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).