methyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate

C18H22N2O3 — CID 645611

IUPACmethyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CC(=O)NC2CCCCC2)c2ccccc12
InChIInChI=1S/C18H22N2O3/c1-23-18(22)15-11-20(16-10-6-5-9-14(15)16)12-17(21)19-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8,12H2,1H3,(H,19,21)
InChIKeyUXLHGRDYPSTKPO-UHFFFAOYSA-N
MW314.38 g/mol
LogP2.88
Rot. Bonds4

About methyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate

methyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate (PubChem CID 645611) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is methyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate
PubChem CID645611
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Namemethyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate
SMILESCOC(=O)c1cn(CC(=O)NC2CCCCC2)c2ccccc12
InChIInChI=1S/C18H22N2O3/c1-23-18(22)15-11-20(16-10-6-5-9-14(15)16)12-17(21)19-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8,12H2,1H3,(H,19,21)
InChIKeyUXLHGRDYPSTKPO-UHFFFAOYSA-N
XLogP2.88
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-(cycloheptylamino)-2-oxoethyl]indole-3-carboxylate
CID 848129
2-(3-benzoylindol-1-yl)-N-cyclohexylacetamide
CID 2202973
2-[3-(cyclohexanecarbonyl)indol-1-yl]-N-cyclopropylacetamide
CID 2226331
methyl 1-(cyclohexylmethyl)indole-3-carboxylate
CID 124518894
methyl 1-[2-[4-(cyclopropylcarbamoyl)anilino]-2-oxoethyl]indole-3-carboxylate
CID 46553810
N-cyclopropyl-2-[3-(2,2-dimethylpropanoyl)indol-1-yl]acetamide
CID 4028183
2-(3-methoxycarbonylindol-1-yl)acetic acid
CID 4962452
[2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 27571304
[1-(cyclohexylamino)-1-oxopropan-2-yl] 1-ethylindole-3-carboxylate
CID 46640535
N-cycloheptyl-2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30559488
2-[3-(benzenesulfonyl)indol-1-yl]-N-cyclododecylacetamide
CID 30554001
N-cyclohexyl-2-[3-[(E)-2-(1-methylpyridin-1-ium-2-yl)ethenyl]indol-1-yl]acetamide
CID 6490029

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate?
The IUPAC name of methyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate (CID 645611) is methyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate.
What is the SMILES notation for methyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate?
The canonical SMILES for methyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate is COC(=O)c1cn(CC(=O)NC2CCCCC2)c2ccccc12.
What is the InChIKey of methyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate?
The InChIKey is UXLHGRDYPSTKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-23-18(22)15-11-20(16-10-6-5-9-14(15)16)12-17(21)19-13-7-3-2-4-8-13/h5-6,9-11,13H,2-4,7-8,12H2,1H3,(H,19,21).
What are the key properties of methyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate?
methyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate has a molecular weight of 314.38 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(cyclohexylamino)-2-oxoethyl]indole-3-carboxylate is sourced from PubChem (CID 645611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).