methyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]indole-6-carboxylate

C15H18N2O3 — CID 848463

IUPACmethyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]indole-6-carboxylate
SMILESCOC(=O)c1ccc2ccn(CC(=O)NC(C)C)c2c1
InChIInChI=1S/C15H18N2O3/c1-10(2)16-14(18)9-17-7-6-11-4-5-12(8-13(11)17)15(19)20-3/h4-8,10H,9H2,1-3H3,(H,16,18)
InChIKeyVGWUXHLTKZAJRI-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.95
Rot. Bonds4

About methyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]indole-6-carboxylate

methyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]indole-6-carboxylate (PubChem CID 848463) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]indole-6-carboxylate
PubChem CID848463
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namemethyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]indole-6-carboxylate
SMILESCOC(=O)c1ccc2ccn(CC(=O)NC(C)C)c2c1
InChIInChI=1S/C15H18N2O3/c1-10(2)16-14(18)9-17-7-6-11-4-5-12(8-13(11)17)15(19)20-3/h4-8,10H,9H2,1-3H3,(H,16,18)
InChIKeyVGWUXHLTKZAJRI-UHFFFAOYSA-N
XLogP1.95
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]indole-6-carboxylate?
The IUPAC name of methyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]indole-6-carboxylate (CID 848463) is methyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]indole-6-carboxylate.
What is the SMILES notation for methyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]indole-6-carboxylate?
The canonical SMILES for methyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]indole-6-carboxylate is COC(=O)c1ccc2ccn(CC(=O)NC(C)C)c2c1.
What is the InChIKey of methyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]indole-6-carboxylate?
The InChIKey is VGWUXHLTKZAJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-10(2)16-14(18)9-17-7-6-11-4-5-12(8-13(11)17)15(19)20-3/h4-8,10H,9H2,1-3H3,(H,16,18).
What are the key properties of methyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]indole-6-carboxylate?
methyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]indole-6-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-oxo-2-(propan-2-ylamino)ethyl]indole-6-carboxylate is sourced from PubChem (CID 848463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).