methyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate

C20H20N2O4 — CID 46490405

IUPACmethyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate
SMILESCCC(=O)N1CCc2cc(C(=O)Nc3cccc(C(=O)OC)c3)ccc21
InChIInChI=1S/C20H20N2O4/c1-3-18(23)22-10-9-13-11-14(7-8-17(13)22)19(24)21-16-6-4-5-15(12-16)20(25)26-2/h4-8,11-12H,3,9-10H2,1-2H3,(H,21,24)
InChIKeyXMYXQFUXISFFEN-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.02
Rot. Bonds4

About methyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate

methyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate (PubChem CID 46490405) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is methyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate
PubChem CID46490405
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC Namemethyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate
SMILESCCC(=O)N1CCc2cc(C(=O)Nc3cccc(C(=O)OC)c3)ccc21
InChIInChI=1S/C20H20N2O4/c1-3-18(23)22-10-9-13-11-14(7-8-17(13)22)19(24)21-16-6-4-5-15(12-16)20(25)26-2/h4-8,11-12H,3,9-10H2,1-2H3,(H,21,24)
InChIKeyXMYXQFUXISFFEN-UHFFFAOYSA-N
XLogP3.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(ethylcarbamoyl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 47047847
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 46491877
N-(3-chloro-4-methoxyphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 53080866
N-[4-(2-methylpropanoylamino)phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55787282
methyl 1-(3,3-dimethylbutanoyl)-2,3-dihydroindole-5-carboxylate
CID 86917336
methyl 1-benzoyl-2,3-dihydroindole-5-carboxylate
CID 10660450
N-[4-[ethyl(propan-2-yl)amino]phenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55786918
N-(2,5-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 53080849
N-(3-acetylphenyl)-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100542888
methyl 3-[[4-(2,3-dihydroindol-1-ylmethyl)benzoyl]amino]benzoate
CID 92677668
N-[2-(2-methoxyethoxy)-4-methylphenyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 55892243
4-chloro-N-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)benzamide
CID 27604865

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate (CID 46490405) is methyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate is CCC(=O)N1CCc2cc(C(=O)Nc3cccc(C(=O)OC)c3)ccc21.
What is the InChIKey of methyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate?
The InChIKey is XMYXQFUXISFFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-3-18(23)22-10-9-13-11-14(7-8-17(13)22)19(24)21-16-6-4-5-15(12-16)20(25)26-2/h4-8,11-12H,3,9-10H2,1-2H3,(H,21,24).
What are the key properties of methyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate?
methyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate has a molecular weight of 352.39 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-propanoyl-2,3-dihydroindole-5-carbonyl)amino]benzoate is sourced from PubChem (CID 46490405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).