methyl 3-(2-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate

C17H21N3O4 — CID 3723654

IUPACmethyl 3-(2-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccccc2c1NC(=O)C(C)N1CCOCC1
InChIInChI=1S/C17H21N3O4/c1-11(20-7-9-24-10-8-20)16(21)19-14-12-5-3-4-6-13(12)18-15(14)17(22)23-2/h3-6,11,18H,7-10H2,1-2H3,(H,19,21)
InChIKeyOZXJRYIPSBLOOT-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.61
Rot. Bonds4

About methyl 3-(2-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate

methyl 3-(2-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate (PubChem CID 3723654) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is methyl 3-(2-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate
PubChem CID3723654
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Namemethyl 3-(2-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate
SMILESCOC(=O)c1[nH]c2ccccc2c1NC(=O)C(C)N1CCOCC1
InChIInChI=1S/C17H21N3O4/c1-11(20-7-9-24-10-8-20)16(21)19-14-12-5-3-4-6-13(12)18-15(14)17(22)23-2/h3-6,11,18H,7-10H2,1-2H3,(H,19,21)
InChIKeyOZXJRYIPSBLOOT-UHFFFAOYSA-N
XLogP1.61
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate?
The IUPAC name of methyl 3-(2-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate (CID 3723654) is methyl 3-(2-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate.
What is the SMILES notation for methyl 3-(2-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate?
The canonical SMILES for methyl 3-(2-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate is COC(=O)c1[nH]c2ccccc2c1NC(=O)C(C)N1CCOCC1.
What is the InChIKey of methyl 3-(2-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate?
The InChIKey is OZXJRYIPSBLOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-11(20-7-9-24-10-8-20)16(21)19-14-12-5-3-4-6-13(12)18-15(14)17(22)23-2/h3-6,11,18H,7-10H2,1-2H3,(H,19,21).
What are the key properties of methyl 3-(2-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate?
methyl 3-(2-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate has a molecular weight of 331.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-morpholin-4-ylpropanoylamino)-1H-indole-2-carboxylate is sourced from PubChem (CID 3723654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).