[2-(cyclohexylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate

C14H20N2O3 — CID 3977392

IUPAC[2-(cyclohexylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCC(=O)NC1CCCCC1
InChIInChI=1S/C14H20N2O3/c1-16-9-5-8-12(16)14(18)19-10-13(17)15-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7,10H2,1H3,(H,15,17)
InChIKeyXOVSIBMPHAYDFD-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.63
Rot. Bonds4

About [2-(cyclohexylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate

[2-(cyclohexylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate (PubChem CID 3977392) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is [2-(cyclohexylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-(cyclohexylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
PubChem CID3977392
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name[2-(cyclohexylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESCn1cccc1C(=O)OCC(=O)NC1CCCCC1
InChIInChI=1S/C14H20N2O3/c1-16-9-5-8-12(16)14(18)19-10-13(17)15-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7,10H2,1H3,(H,15,17)
InChIKeyXOVSIBMPHAYDFD-UHFFFAOYSA-N
XLogP1.63
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 55307564
[2-(carbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 5024305
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1-methylpyrrole-2-carboxylate
CID 2635124
[2-(cyclooctylamino)-2-oxoethyl] 1-methylindole-3-carboxylate
CID 27571304
bis[2-(cyclohexylamino)-2-oxoethyl] pyridine-2,6-dicarboxylate
CID 2999823
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2647715
[2-(cyclooctylamino)-2-oxoethyl] 2,6-dichlorobenzoate
CID 2489093
[2-(cycloheptylamino)-2-oxoethyl] 2-chlorobenzoate
CID 4804286
[2-(cyclopropylamino)-2-oxoethyl] 4-acetyl-1-methylpyrrole-2-carboxylate
CID 27188579
[2-(cyclooctylamino)-2-oxoethyl] 4-hydroxybenzoate
CID 2432953
[2-(cycloheptylamino)-2-oxoethyl] 4-methoxybenzoate
CID 2376879
[2-(cyclooctylamino)-2-oxoethyl] 2-hydroxy-3-methylbenzoate
CID 2578328

Frequently Asked Questions

What is the IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The IUPAC name of [2-(cyclohexylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate (CID 3977392) is [2-(cyclohexylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate.
What is the SMILES notation for [2-(cyclohexylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The canonical SMILES for [2-(cyclohexylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate is Cn1cccc1C(=O)OCC(=O)NC1CCCCC1.
What is the InChIKey of [2-(cyclohexylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The InChIKey is XOVSIBMPHAYDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16-9-5-8-12(16)14(18)19-10-13(17)15-11-6-3-2-4-7-11/h5,8-9,11H,2-4,6-7,10H2,1H3,(H,15,17).
What are the key properties of [2-(cyclohexylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
[2-(cyclohexylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate has a molecular weight of 264.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclohexylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 3977392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).