(2-benzamido-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate

C20H18N2O4 — CID 9113754

IUPAC(2-benzamido-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate
SMILESCc1[nH]c2ccc(C(=O)OCC(=O)NC(=O)c3ccccc3)cc2c1C
InChIInChI=1S/C20H18N2O4/c1-12-13(2)21-17-9-8-15(10-16(12)17)20(25)26-11-18(23)22-19(24)14-6-4-3-5-7-14/h3-10,21H,11H2,1-2H3,(H,22,23,24)
InChIKeyGHXHKDPKQGBZPB-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.90
Rot. Bonds4

About (2-benzamido-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate

(2-benzamido-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate (PubChem CID 9113754) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is (2-benzamido-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate.

Molecular Properties

Compound Name(2-benzamido-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate
PubChem CID9113754
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name(2-benzamido-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate
SMILESCc1[nH]c2ccc(C(=O)OCC(=O)NC(=O)c3ccccc3)cc2c1C
InChIInChI=1S/C20H18N2O4/c1-12-13(2)21-17-9-8-15(10-16(12)17)20(25)26-11-18(23)22-19(24)14-6-4-3-5-7-14/h3-10,21H,11H2,1-2H3,(H,22,23,24)
InChIKeyGHXHKDPKQGBZPB-UHFFFAOYSA-N
XLogP2.90
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

[2-(2-methoxyethylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 41120693
(2-methoxy-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate
CID 18099294
[2-(3-chloroanilino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 41120769
benzyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 50888023
[2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 9111860
[2-(dimethylamino)-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 18080215
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 8850398
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 8892731
methyl 2,3-dimethyl-1H-indole-5-carboxylate
CID 11344717
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 18080433
(2-benzamido-2-oxoethyl) 4-chloro-3-methylsulfonylbenzoate
CID 41423260
[2-[4-(difluoromethoxy)anilino]-2-oxoethyl] 2,3-dimethyl-1H-indole-5-carboxylate
CID 41120554

Frequently Asked Questions

What is the IUPAC name of (2-benzamido-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate?
The IUPAC name of (2-benzamido-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate (CID 9113754) is (2-benzamido-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate.
What is the SMILES notation for (2-benzamido-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate?
The canonical SMILES for (2-benzamido-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate is Cc1[nH]c2ccc(C(=O)OCC(=O)NC(=O)c3ccccc3)cc2c1C.
What is the InChIKey of (2-benzamido-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate?
The InChIKey is GHXHKDPKQGBZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-12-13(2)21-17-9-8-15(10-16(12)17)20(25)26-11-18(23)22-19(24)14-6-4-3-5-7-14/h3-10,21H,11H2,1-2H3,(H,22,23,24).
What are the key properties of (2-benzamido-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate?
(2-benzamido-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate has a molecular weight of 350.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzamido-2-oxoethyl) 2,3-dimethyl-1H-indole-5-carboxylate is sourced from PubChem (CID 9113754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).