4-acetyl-3-ethyl-N-[3-[3-(hydroxyamino)-3-oxopropyl]phenyl]-5-methyl-1H-pyrrole-2-carboxamide

C19H23N3O4 — CID 156612861

IUPAC4-acetyl-3-ethyl-N-[3-[3-(hydroxyamino)-3-oxopropyl]phenyl]-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)Nc2cccc(CCC(=O)NO)c2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C19H23N3O4/c1-4-15-17(12(3)23)11(2)20-18(15)19(25)21-14-7-5-6-13(10-14)8-9-16(24)22-26/h5-7,10,20,26H,4,8-9H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyJZECKTZTLWIBPJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.78
Rot. Bonds7

About 4-acetyl-3-ethyl-N-[3-[3-(hydroxyamino)-3-oxopropyl]phenyl]-5-methyl-1H-pyrrole-2-carboxamide

4-acetyl-3-ethyl-N-[3-[3-(hydroxyamino)-3-oxopropyl]phenyl]-5-methyl-1H-pyrrole-2-carboxamide (PubChem CID 156612861) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 4-acetyl-3-ethyl-N-[3-[3-(hydroxyamino)-3-oxopropyl]phenyl]-5-methyl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-3-ethyl-N-[3-[3-(hydroxyamino)-3-oxopropyl]phenyl]-5-methyl-1H-pyrrole-2-carboxamide
PubChem CID156612861
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name4-acetyl-3-ethyl-N-[3-[3-(hydroxyamino)-3-oxopropyl]phenyl]-5-methyl-1H-pyrrole-2-carboxamide
SMILESCCc1c(C(=O)Nc2cccc(CCC(=O)NO)c2)[nH]c(C)c1C(C)=O
InChIInChI=1S/C19H23N3O4/c1-4-15-17(12(3)23)11(2)20-18(15)19(25)21-14-7-5-6-13(10-14)8-9-16(24)22-26/h5-7,10,20,26H,4,8-9H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyJZECKTZTLWIBPJ-UHFFFAOYSA-N
XLogP2.78
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-ethyl-N-[3-[3-(hydroxyamino)-3-oxopropyl]phenyl]-5-methyl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-3-ethyl-N-[3-[3-(hydroxyamino)-3-oxopropyl]phenyl]-5-methyl-1H-pyrrole-2-carboxamide (CID 156612861) is 4-acetyl-3-ethyl-N-[3-[3-(hydroxyamino)-3-oxopropyl]phenyl]-5-methyl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-3-ethyl-N-[3-[3-(hydroxyamino)-3-oxopropyl]phenyl]-5-methyl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-3-ethyl-N-[3-[3-(hydroxyamino)-3-oxopropyl]phenyl]-5-methyl-1H-pyrrole-2-carboxamide is CCc1c(C(=O)Nc2cccc(CCC(=O)NO)c2)[nH]c(C)c1C(C)=O.
What is the InChIKey of 4-acetyl-3-ethyl-N-[3-[3-(hydroxyamino)-3-oxopropyl]phenyl]-5-methyl-1H-pyrrole-2-carboxamide?
The InChIKey is JZECKTZTLWIBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-4-15-17(12(3)23)11(2)20-18(15)19(25)21-14-7-5-6-13(10-14)8-9-16(24)22-26/h5-7,10,20,26H,4,8-9H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of 4-acetyl-3-ethyl-N-[3-[3-(hydroxyamino)-3-oxopropyl]phenyl]-5-methyl-1H-pyrrole-2-carboxamide?
4-acetyl-3-ethyl-N-[3-[3-(hydroxyamino)-3-oxopropyl]phenyl]-5-methyl-1H-pyrrole-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 2.78, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-ethyl-N-[3-[3-(hydroxyamino)-3-oxopropyl]phenyl]-5-methyl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 156612861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).