4-acetyl-3-ethyl-N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-methoxyphenyl]-5-methyl-1H-pyrrole-2-carboxamide

C20H23N3O5 — CID 166626060

IUPAC4-acetyl-3-ethyl-N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-methoxyphenyl]-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)Nc2cc(/C=C/C(=O)NO)ccc2OC)[nH]c(C)c1C(C)=O
InChIInChI=1S/C20H23N3O5/c1-5-14-18(12(3)24)11(2)21-19(14)20(26)22-15-10-13(6-8-16(15)28-4)7-9-17(25)23-27/h6-10,21,27H,5H2,1-4H3,(H,22,26)(H,23,25)/b9-7+
InChIKeyIMAQUYGNXCKZFP-VQHVLOKHSA-N
MW385.42 g/mol
LogP2.87
Rot. Bonds7

About 4-acetyl-3-ethyl-N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-methoxyphenyl]-5-methyl-1H-pyrrole-2-carboxamide

4-acetyl-3-ethyl-N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-methoxyphenyl]-5-methyl-1H-pyrrole-2-carboxamide (PubChem CID 166626060) has the molecular formula C20H23N3O5 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-acetyl-3-ethyl-N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-methoxyphenyl]-5-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3-ethyl-N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-methoxyphenyl]-5-methyl-1H-pyrrole-2-carboxamide
PubChem CID166626060
Molecular FormulaC20H23N3O5
Molecular Weight385.42 g/mol
Exact Mass385.16
IUPAC Name4-acetyl-3-ethyl-N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-methoxyphenyl]-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)Nc2cc(/C=C/C(=O)NO)ccc2OC)[nH]c(C)c1C(C)=O
InChIInChI=1S/C20H23N3O5/c1-5-14-18(12(3)24)11(2)21-19(14)20(26)22-15-10-13(6-8-16(15)28-4)7-9-17(25)23-27/h6-10,21,27H,5H2,1-4H3,(H,22,26)(H,23,25)/b9-7+
InChIKeyIMAQUYGNXCKZFP-VQHVLOKHSA-N
XLogP2.87
TPSA120.52 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-acetyl-3-ethyl-N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-methoxyphenyl]-5-methyl-1H-pyrrole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-ethyl-N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-methoxyphenyl]-5-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3-ethyl-N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-methoxyphenyl]-5-methyl-1H-pyrrole-2-carboxamide (CID 166626060) is 4-acetyl-3-ethyl-N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-methoxyphenyl]-5-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3-ethyl-N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-methoxyphenyl]-5-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3-ethyl-N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-methoxyphenyl]-5-methyl-1H-pyrrole-2-carboxamide is CCc1c(C(=O)Nc2cc(/C=C/C(=O)NO)ccc2OC)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-3-ethyl-N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-methoxyphenyl]-5-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is IMAQUYGNXCKZFP-VQHVLOKHSA-N. The full InChI is InChI=1S/C20H23N3O5/c1-5-14-18(12(3)24)11(2)21-19(14)20(26)22-15-10-13(6-8-16(15)28-4)7-9-17(25)23-27/h6-10,21,27H,5H2,1-4H3,(H,22,26)(H,23,25)/b9-7+.
What are the key properties of 4-acetyl-3-ethyl-N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-methoxyphenyl]-5-methyl-1H-pyrrole-2-carboxamide?
4-acetyl-3-ethyl-N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-methoxyphenyl]-5-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 385.42 g/mol, XLogP of 2.87, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-ethyl-N-[5-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]-2-methoxyphenyl]-5-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 166626060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).