ethyl 7-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate

C20H28N2O4 — CID 69415715

IUPACethyl 7-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate
SMILESCCOC(=O)c1cc2cccc(C)c2n1C(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C20H28N2O4/c1-7-25-18(23)16-11-15-10-8-9-13(2)17(15)22(16)14(3)12-21-19(24)26-20(4,5)6/h8-11,14H,7,12H2,1-6H3,(H,21,24)
InChIKeyQIBFTKJVYOSQBG-UHFFFAOYSA-N
MW360.45 g/mol
LogP4.21
Rot. Bonds5

About ethyl 7-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate

ethyl 7-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate (PubChem CID 69415715) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is ethyl 7-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate
PubChem CID69415715
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Nameethyl 7-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate
SMILESCCOC(=O)c1cc2cccc(C)c2n1C(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C20H28N2O4/c1-7-25-18(23)16-11-15-10-8-9-13(2)17(15)22(16)14(3)12-21-19(24)26-20(4,5)6/h8-11,14H,7,12H2,1-6H3,(H,21,24)
InChIKeyQIBFTKJVYOSQBG-UHFFFAOYSA-N
XLogP4.21
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 7-fluoro-6-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate
CID 69415422
ethyl 6-fluoro-7-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate
CID 69415486
ethyl 5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate
CID 69416886
diethyl 7-fluoro-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2,6-dicarboxylate
CID 175599773
ethyl 7-chloro-5-methyl-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate
CID 69415607
ethyl 1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]-7,8-dihydro-6H-cyclopenta[g]indole-2-carboxylate
CID 68888919
ethyl 6-chloro-5-ethoxy-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-b]pyridine-2-carboxylate
CID 87797333
ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-d][1,3]thiazole-5-carboxylate
CID 170432275
ethyl 6,7-dimethyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]indole-2-carboxylate
CID 170610188
ethyl 8-methyl-1-oxo-2-propan-2-ylisoquinoline-3-carboxylate
CID 58008871
diethyl 3-chloro-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]pyrrolo[2,3-b]pyridine-2,6-dicarboxylate
CID 130357548
tert-butyl N-[2-(2,3-dimethylanilino)propyl]carbamate
CID 103387317

Frequently Asked Questions

What is the IUPAC name of ethyl 7-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate?
The IUPAC name of ethyl 7-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate (CID 69415715) is ethyl 7-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate.
What is the SMILES notation for ethyl 7-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate?
The canonical SMILES for ethyl 7-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate is CCOC(=O)c1cc2cccc(C)c2n1C(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of ethyl 7-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate?
The InChIKey is QIBFTKJVYOSQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-7-25-18(23)16-11-15-10-8-9-13(2)17(15)22(16)14(3)12-21-19(24)26-20(4,5)6/h8-11,14H,7,12H2,1-6H3,(H,21,24).
What are the key properties of ethyl 7-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate?
ethyl 7-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate has a molecular weight of 360.45 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-methyl-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]indole-2-carboxylate is sourced from PubChem (CID 69415715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).