[2-[benzyl(methyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate

C15H16N2O3 — CID 8544093

IUPAC[2-[benzyl(methyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)c1ccc[nH]1
InChIInChI=1S/C15H16N2O3/c1-17(10-12-6-3-2-4-7-12)14(18)11-20-15(19)13-8-5-9-16-13/h2-9,16H,10-11H2,1H3
InChIKeyKCJJCDYVRIFKLY-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.83
Rot. Bonds5

About [2-[benzyl(methyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate

[2-[benzyl(methyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate (PubChem CID 8544093) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
PubChem CID8544093
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name[2-[benzyl(methyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
SMILESCN(Cc1ccccc1)C(=O)COC(=O)c1ccc[nH]1
InChIInChI=1S/C15H16N2O3/c1-17(10-12-6-3-2-4-7-12)14(18)11-20-15(19)13-8-5-9-16-13/h2-9,16H,10-11H2,1H3
InChIKeyKCJJCDYVRIFKLY-UHFFFAOYSA-N
XLogP1.83
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[benzyl(methyl)amino]-2-oxoethyl] 2-phenylacetate
CID 55319362
[2-[benzyl(methyl)amino]-2-oxoethyl] propanoate
CID 57155799
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 4-benzoylbenzoate
CID 7203975
N-benzyl-N-methyl-2-(1H-pyrrol-2-yl)acetamide
CID 110690806
[2-[[5-(4-chlorophenyl)furan-2-yl]methyl-methylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8550305
[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl] 2-benzoylbenzoate
CID 46790237
[2-[benzyl(methyl)amino]-2-oxoethyl] 4-(2-amino-2-oxoethoxy)benzoate
CID 8678279
[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8550605
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-oxo-1H-quinoline-4-carboxylate
CID 2390297
[2-[benzyl(methyl)amino]-2-oxoethyl] 2-(cyanomethyl)benzoate
CID 30557430
[2-[benzyl(methyl)amino]-2-oxoethyl] 1-methyl-6-oxopyridazine-3-carboxylate
CID 55734635
[2-[benzyl(methyl)amino]-2-oxoethyl] 3,5-dichloro-4-methoxybenzoate
CID 9125437

Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate?
The IUPAC name of [2-[benzyl(methyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate (CID 8544093) is [2-[benzyl(methyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate.
What is the SMILES notation for [2-[benzyl(methyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate?
The canonical SMILES for [2-[benzyl(methyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate is CN(Cc1ccccc1)C(=O)COC(=O)c1ccc[nH]1.
What is the InChIKey of [2-[benzyl(methyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate?
The InChIKey is KCJJCDYVRIFKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-17(10-12-6-3-2-4-7-12)14(18)11-20-15(19)13-8-5-9-16-13/h2-9,16H,10-11H2,1H3.
What are the key properties of [2-[benzyl(methyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate?
[2-[benzyl(methyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate has a molecular weight of 272.30 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-2-oxoethyl] 1H-pyrrole-2-carboxylate is sourced from PubChem (CID 8544093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).