[1-(cyclohexylamino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate

C20H26N2O3 — CID 46640535

IUPAC[1-(cyclohexylamino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate
SMILESCCn1cc(C(=O)OC(C)C(=O)NC2CCCCC2)c2ccccc21
InChIInChI=1S/C20H26N2O3/c1-3-22-13-17(16-11-7-8-12-18(16)22)20(24)25-14(2)19(23)21-15-9-5-4-6-10-15/h7-8,11-15H,3-6,9-10H2,1-2H3,(H,21,23)
InChIKeyKYGCCUJSNIAJQT-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.66
Rot. Bonds5

About [1-(cyclohexylamino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate

[1-(cyclohexylamino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate (PubChem CID 46640535) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is [1-(cyclohexylamino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate.

Molecular Properties

Compound Name[1-(cyclohexylamino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate
PubChem CID46640535
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name[1-(cyclohexylamino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate
SMILESCCn1cc(C(=O)OC(C)C(=O)NC2CCCCC2)c2ccccc21
InChIInChI=1S/C20H26N2O3/c1-3-22-13-17(16-11-7-8-12-18(16)22)20(24)25-14(2)19(23)21-15-9-5-4-6-10-15/h7-8,11-15H,3-6,9-10H2,1-2H3,(H,21,23)
InChIKeyKYGCCUJSNIAJQT-UHFFFAOYSA-N
XLogP3.66
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-oxo-1-(prop-2-enylamino)propan-2-yl] 1-ethylindole-3-carboxylate
CID 24520194
methyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate
CID 645611
methyl 1-[2-(cycloheptylamino)-2-oxoethyl]indole-3-carboxylate
CID 848129
[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 40730891
[1-(3-acetylanilino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate
CID 46640542
[1-(2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate
CID 24520196
[1-(cyclohexylamino)-1-oxopropan-2-yl] benzoate
CID 42902121
[1-(cyclohexylamino)-1-oxopropan-2-yl] 2-(methylamino)benzoate
CID 24530551
[1-(cyclopentylamino)-1-oxopropan-2-yl] 2-iodobenzoate
CID 3463336
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-fluorobenzoate
CID 7508641
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 3-bromo-1-methylindole-2-carboxylate
CID 94100173
[1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 1-ethylindole-3-carboxylate
CID 18099018

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylamino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate?
The IUPAC name of [1-(cyclohexylamino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate (CID 46640535) is [1-(cyclohexylamino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate.
What is the SMILES notation for [1-(cyclohexylamino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate?
The canonical SMILES for [1-(cyclohexylamino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate is CCn1cc(C(=O)OC(C)C(=O)NC2CCCCC2)c2ccccc21.
What is the InChIKey of [1-(cyclohexylamino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate?
The InChIKey is KYGCCUJSNIAJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-3-22-13-17(16-11-7-8-12-18(16)22)20(24)25-14(2)19(23)21-15-9-5-4-6-10-15/h7-8,11-15H,3-6,9-10H2,1-2H3,(H,21,23).
What are the key properties of [1-(cyclohexylamino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate?
[1-(cyclohexylamino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate has a molecular weight of 342.44 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylamino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate is sourced from PubChem (CID 46640535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).