[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate

C22H24N2O4 — CID 24520196

IUPAC[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate
SMILESCCn1cc(C(=O)OC(C)C(=O)Nc2cc(C)ccc2OC)c2ccccc21
InChIInChI=1S/C22H24N2O4/c1-5-24-13-17(16-8-6-7-9-19(16)24)22(26)28-15(3)21(25)23-18-12-14(2)10-11-20(18)27-4/h6-13,15H,5H2,1-4H3,(H,23,25)
InChIKeyDOIUTFVTFAWTCS-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.16
Rot. Bonds6

About [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate

[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate (PubChem CID 24520196) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate.

Molecular Properties

Compound Name[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate
PubChem CID24520196
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate
SMILESCCn1cc(C(=O)OC(C)C(=O)Nc2cc(C)ccc2OC)c2ccccc21
InChIInChI=1S/C22H24N2O4/c1-5-24-13-17(16-8-6-7-9-19(16)24)22(26)28-15(3)21(25)23-18-12-14(2)10-11-20(18)27-4/h6-13,15H,5H2,1-4H3,(H,23,25)
InChIKeyDOIUTFVTFAWTCS-UHFFFAOYSA-N
XLogP4.16
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 1-methylindole-3-carboxylate
CID 8816537
[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate
CID 8993770
[1-(3-acetylanilino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate
CID 46640542
[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-5-methylbenzoate
CID 8958751
[(2S)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 4-methoxynaphthalene-1-carboxylate
CID 9002983
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-hydroxy-3-methoxybenzoate
CID 55418713
[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 5-chloro-2-methoxybenzoate
CID 8738415
[(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[(S)-methylsulfinyl]benzoate
CID 11938822
[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 2-[(R)-methylsulfinyl]benzoate
CID 11938821
[1-oxo-1-(prop-2-enylamino)propan-2-yl] 1-ethylindole-3-carboxylate
CID 24520194
[(2R)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate
CID 8666699
[(2S)-1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 3-methyl-1-benzothiophene-2-carboxylate
CID 8666701

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate?
The IUPAC name of [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate (CID 24520196) is [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate.
What is the SMILES notation for [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate?
The canonical SMILES for [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate is CCn1cc(C(=O)OC(C)C(=O)Nc2cc(C)ccc2OC)c2ccccc21.
What is the InChIKey of [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate?
The InChIKey is DOIUTFVTFAWTCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-5-24-13-17(16-8-6-7-9-19(16)24)22(26)28-15(3)21(25)23-18-12-14(2)10-11-20(18)27-4/h6-13,15H,5H2,1-4H3,(H,23,25).
What are the key properties of [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate?
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate has a molecular weight of 380.44 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate is sourced from PubChem (CID 24520196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).