[2-(ethylamino)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate

C17H20N2O3 — CID 2433632

IUPAC[2-(ethylamino)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
SMILESCCNC(=O)COC(=O)c1cc(C)n(-c2ccccc2)c1C
InChIInChI=1S/C17H20N2O3/c1-4-18-16(20)11-22-17(21)15-10-12(2)19(13(15)3)14-8-6-5-7-9-14/h5-10H,4,11H2,1-3H3,(H,18,20)
InChIKeyMHEPFTDLZHRYOH-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.39
Rot. Bonds5

About [2-(ethylamino)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate

[2-(ethylamino)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate (PubChem CID 2433632) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
PubChem CID2433632
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name[2-(ethylamino)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
SMILESCCNC(=O)COC(=O)c1cc(C)n(-c2ccccc2)c1C
InChIInChI=1S/C17H20N2O3/c1-4-18-16(20)11-22-17(21)15-10-12(2)19(13(15)3)14-8-6-5-7-9-14/h5-10H,4,11H2,1-3H3,(H,18,20)
InChIKeyMHEPFTDLZHRYOH-UHFFFAOYSA-N
XLogP2.39
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate (CID 2433632) is [2-(ethylamino)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate is CCNC(=O)COC(=O)c1cc(C)n(-c2ccccc2)c1C.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate?
The InChIKey is MHEPFTDLZHRYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-4-18-16(20)11-22-17(21)15-10-12(2)19(13(15)3)14-8-6-5-7-9-14/h5-10H,4,11H2,1-3H3,(H,18,20).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate?
[2-(ethylamino)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 2,5-dimethyl-1-phenylpyrrole-3-carboxylate is sourced from PubChem (CID 2433632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).