ethyl 4-acetyl-1-[(2-methoxybenzoyl)amino]-2,5-dimethylpyrrole-3-carboxylate

C19H22N2O5 — CID 4624996

IUPACethyl 4-acetyl-1-[(2-methoxybenzoyl)amino]-2,5-dimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C(C)=O)c(C)n(NC(=O)c2ccccc2OC)c1C
InChIInChI=1S/C19H22N2O5/c1-6-26-19(24)17-12(3)21(11(2)16(17)13(4)22)20-18(23)14-9-7-8-10-15(14)25-5/h7-10H,6H2,1-5H3,(H,20,23)
InChIKeyMHZBJELKXUQOHV-UHFFFAOYSA-N
MW358.39 g/mol
LogP2.88
Rot. Bonds6

About ethyl 4-acetyl-1-[(2-methoxybenzoyl)amino]-2,5-dimethylpyrrole-3-carboxylate

ethyl 4-acetyl-1-[(2-methoxybenzoyl)amino]-2,5-dimethylpyrrole-3-carboxylate (PubChem CID 4624996) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is ethyl 4-acetyl-1-[(2-methoxybenzoyl)amino]-2,5-dimethylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyl-1-[(2-methoxybenzoyl)amino]-2,5-dimethylpyrrole-3-carboxylate
PubChem CID4624996
Molecular FormulaC19H22N2O5
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Nameethyl 4-acetyl-1-[(2-methoxybenzoyl)amino]-2,5-dimethylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(C(C)=O)c(C)n(NC(=O)c2ccccc2OC)c1C
InChIInChI=1S/C19H22N2O5/c1-6-26-19(24)17-12(3)21(11(2)16(17)13(4)22)20-18(23)14-9-7-8-10-15(14)25-5/h7-10H,6H2,1-5H3,(H,20,23)
InChIKeyMHZBJELKXUQOHV-UHFFFAOYSA-N
XLogP2.88
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyl-1-[(2-methoxybenzoyl)amino]-2,5-dimethylpyrrole-3-carboxylate?
The IUPAC name of ethyl 4-acetyl-1-[(2-methoxybenzoyl)amino]-2,5-dimethylpyrrole-3-carboxylate (CID 4624996) is ethyl 4-acetyl-1-[(2-methoxybenzoyl)amino]-2,5-dimethylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 4-acetyl-1-[(2-methoxybenzoyl)amino]-2,5-dimethylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 4-acetyl-1-[(2-methoxybenzoyl)amino]-2,5-dimethylpyrrole-3-carboxylate is CCOC(=O)c1c(C(C)=O)c(C)n(NC(=O)c2ccccc2OC)c1C.
What is the InChIKey of ethyl 4-acetyl-1-[(2-methoxybenzoyl)amino]-2,5-dimethylpyrrole-3-carboxylate?
The InChIKey is MHZBJELKXUQOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-6-26-19(24)17-12(3)21(11(2)16(17)13(4)22)20-18(23)14-9-7-8-10-15(14)25-5/h7-10H,6H2,1-5H3,(H,20,23).
What are the key properties of ethyl 4-acetyl-1-[(2-methoxybenzoyl)amino]-2,5-dimethylpyrrole-3-carboxylate?
ethyl 4-acetyl-1-[(2-methoxybenzoyl)amino]-2,5-dimethylpyrrole-3-carboxylate has a molecular weight of 358.39 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyl-1-[(2-methoxybenzoyl)amino]-2,5-dimethylpyrrole-3-carboxylate is sourced from PubChem (CID 4624996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).