methyl 1-[2-(propanoylamino)ethyl]indole-2-carboxylate

C15H18N2O3 — CID 155537892

IUPACmethyl 1-[2-(propanoylamino)ethyl]indole-2-carboxylate
SMILESCCC(=O)NCCn1c(C(=O)OC)cc2ccccc21
InChIInChI=1S/C15H18N2O3/c1-3-14(18)16-8-9-17-12-7-5-4-6-11(12)10-13(17)15(19)20-2/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)
InChIKeyPHYQSUQUGYHDOT-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.95
Rot. Bonds5

About methyl 1-[2-(propanoylamino)ethyl]indole-2-carboxylate

methyl 1-[2-(propanoylamino)ethyl]indole-2-carboxylate (PubChem CID 155537892) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 1-[2-(propanoylamino)ethyl]indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(propanoylamino)ethyl]indole-2-carboxylate
PubChem CID155537892
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namemethyl 1-[2-(propanoylamino)ethyl]indole-2-carboxylate
SMILESCCC(=O)NCCn1c(C(=O)OC)cc2ccccc21
InChIInChI=1S/C15H18N2O3/c1-3-14(18)16-8-9-17-12-7-5-4-6-11(12)10-13(17)15(19)20-2/h4-7,10H,3,8-9H2,1-2H3,(H,16,18)
InChIKeyPHYQSUQUGYHDOT-UHFFFAOYSA-N
XLogP1.95
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-(propanoylamino)ethyl]indole-2-carboxylate?
The IUPAC name of methyl 1-[2-(propanoylamino)ethyl]indole-2-carboxylate (CID 155537892) is methyl 1-[2-(propanoylamino)ethyl]indole-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(propanoylamino)ethyl]indole-2-carboxylate?
The canonical SMILES for methyl 1-[2-(propanoylamino)ethyl]indole-2-carboxylate is CCC(=O)NCCn1c(C(=O)OC)cc2ccccc21.
What is the InChIKey of methyl 1-[2-(propanoylamino)ethyl]indole-2-carboxylate?
The InChIKey is PHYQSUQUGYHDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-14(18)16-8-9-17-12-7-5-4-6-11(12)10-13(17)15(19)20-2/h4-7,10H,3,8-9H2,1-2H3,(H,16,18).
What are the key properties of methyl 1-[2-(propanoylamino)ethyl]indole-2-carboxylate?
methyl 1-[2-(propanoylamino)ethyl]indole-2-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(propanoylamino)ethyl]indole-2-carboxylate is sourced from PubChem (CID 155537892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).