[2-(N-methylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate

C15H16N2O3 — CID 55307547

IUPAC[2-(N-methylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESCN(C(=O)COC(=O)c1cccn1C)c1ccccc1
InChIInChI=1S/C15H16N2O3/c1-16-10-6-9-13(16)15(19)20-11-14(18)17(2)12-7-4-3-5-8-12/h3-10H,11H2,1-2H3
InChIKeyNFPTXNPRLBPLDZ-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.84
Rot. Bonds4

About [2-(N-methylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate

[2-(N-methylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate (PubChem CID 55307547) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
PubChem CID55307547
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
SMILESCN(C(=O)COC(=O)c1cccn1C)c1ccccc1
InChIInChI=1S/C15H16N2O3/c1-16-10-6-9-13(16)15(19)20-11-14(18)17(2)12-7-4-3-5-8-12/h3-10H,11H2,1-2H3
InChIKeyNFPTXNPRLBPLDZ-UHFFFAOYSA-N
XLogP1.84
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[bis(prop-2-enyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 55307562
[2-(N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]anilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7554143
[2-(N-[(3S)-1,1-dioxothiolan-3-yl]anilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7284486
[2-(N-methylanilino)-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519333
[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 1-methylpyrrole-2-carboxylate
CID 2526458
[2-(carbamoylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 5024305
3-(1-methylpyrrole-2-carbonyl)oxypropyl 1-methylpyrrole-2-carboxylate
CID 55400779
[2-(benzhydrylamino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 7284631
[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 55307564
[2-[benzyl(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 8886474
[2-[[(2S)-3-methylbutan-2-yl]amino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 2647715
[2-(N-methylanilino)-2-oxoethyl] 3-methylbenzoate
CID 46860545

Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate (CID 55307547) is [2-(N-methylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate is CN(C(=O)COC(=O)c1cccn1C)c1ccccc1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
The InChIKey is NFPTXNPRLBPLDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-16-10-6-9-13(16)15(19)20-11-14(18)17(2)12-7-4-3-5-8-12/h3-10H,11H2,1-2H3.
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate?
[2-(N-methylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 1.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] 1-methylpyrrole-2-carboxylate is sourced from PubChem (CID 55307547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).