methyl 6-methoxy-1-[2-(propanoylamino)ethyl]indole-2-carboxylate

C16H20N2O4 — CID 10542533

IUPACmethyl 6-methoxy-1-[2-(propanoylamino)ethyl]indole-2-carboxylate
SMILESCCC(=O)NCCn1c(C(=O)OC)cc2ccc(OC)cc21
InChIInChI=1S/C16H20N2O4/c1-4-15(19)17-7-8-18-13-10-12(21-2)6-5-11(13)9-14(18)16(20)22-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,19)
InChIKeyCMZCZSHUBFQBDA-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.96
Rot. Bonds6

About methyl 6-methoxy-1-[2-(propanoylamino)ethyl]indole-2-carboxylate

methyl 6-methoxy-1-[2-(propanoylamino)ethyl]indole-2-carboxylate (PubChem CID 10542533) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is methyl 6-methoxy-1-[2-(propanoylamino)ethyl]indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-1-[2-(propanoylamino)ethyl]indole-2-carboxylate
PubChem CID10542533
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Namemethyl 6-methoxy-1-[2-(propanoylamino)ethyl]indole-2-carboxylate
SMILESCCC(=O)NCCn1c(C(=O)OC)cc2ccc(OC)cc21
InChIInChI=1S/C16H20N2O4/c1-4-15(19)17-7-8-18-13-10-12(21-2)6-5-11(13)9-14(18)16(20)22-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,19)
InChIKeyCMZCZSHUBFQBDA-UHFFFAOYSA-N
XLogP1.96
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-1-[2-(propanoylamino)ethyl]indole-2-carboxylate?
The IUPAC name of methyl 6-methoxy-1-[2-(propanoylamino)ethyl]indole-2-carboxylate (CID 10542533) is methyl 6-methoxy-1-[2-(propanoylamino)ethyl]indole-2-carboxylate.
What is the SMILES notation for methyl 6-methoxy-1-[2-(propanoylamino)ethyl]indole-2-carboxylate?
The canonical SMILES for methyl 6-methoxy-1-[2-(propanoylamino)ethyl]indole-2-carboxylate is CCC(=O)NCCn1c(C(=O)OC)cc2ccc(OC)cc21.
What is the InChIKey of methyl 6-methoxy-1-[2-(propanoylamino)ethyl]indole-2-carboxylate?
The InChIKey is CMZCZSHUBFQBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-4-15(19)17-7-8-18-13-10-12(21-2)6-5-11(13)9-14(18)16(20)22-3/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,19).
What are the key properties of methyl 6-methoxy-1-[2-(propanoylamino)ethyl]indole-2-carboxylate?
methyl 6-methoxy-1-[2-(propanoylamino)ethyl]indole-2-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-1-[2-(propanoylamino)ethyl]indole-2-carboxylate is sourced from PubChem (CID 10542533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).