[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate

C16H24N2O3 — CID 55307564

IUPAC[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESCCN(C(=O)COC(=O)c1cccn1C)C1CCCCC1
InChIInChI=1S/C16H24N2O3/c1-3-18(13-8-5-4-6-9-13)15(19)12-21-16(20)14-10-7-11-17(14)2/h7,10-11,13H,3-6,8-9,12H2,1-2H3
InChIKeyDMHGYFAYEFUPRG-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.36
Rot. Bonds5

About [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate (PubChem CID 55307564) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
PubChem CID55307564
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESCCN(C(=O)COC(=O)c1cccn1C)C1CCCCC1
InChIInChI=1S/C16H24N2O3/c1-3-18(13-8-5-4-6-9-13)15(19)12-21-16(20)14-10-7-11-17(14)2/h7,10-11,13H,3-6,8-9,12H2,1-2H3
InChIKeyDMHGYFAYEFUPRG-UHFFFAOYSA-N
XLogP2.36
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclohexylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 3977392
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-ethyl-4-oxophthalazine-1-carboxylate
CID 7190191
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 55315017
[2-(N-methylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 55307547
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 3-indol-1-ylpropanoate
CID 55378755
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888882
[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 55307562
[2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7284486
[4-[(1-methylpyrrole-2-carbonyl)oxymethyl]phenyl]methyl 1-methylpyrrole-2-carboxylate
CID 7229032
[2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(ethyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 8886497
N-cyclohexyl-2-(2,6-dichlorophenoxy)-N-ethylacetamide
CID 112786349
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] (2R)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoate
CID 22747985

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate (CID 55307564) is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate.
What is the SMILES notation for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The canonical SMILES for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate is CCN(C(=O)COC(=O)c1cccn1C)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The InChIKey is DMHGYFAYEFUPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-18(13-8-5-4-6-9-13)15(19)12-21-16(20)14-10-7-11-17(14)2/h7,10-11,13H,3-6,8-9,12H2,1-2H3.
What are the key properties of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 55307564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).