4-acetyl-N'-[2-(2,6-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide

C17H19N3O4 — CID 9087574

IUPAC4-acetyl-N'-[2-(2,6-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
SMILESCC(=O)c1c[nH]c(C(=O)NNC(=O)COc2c(C)cccc2C)c1
InChIInChI=1S/C17H19N3O4/c1-10-5-4-6-11(2)16(10)24-9-15(22)19-20-17(23)14-7-13(8-18-14)12(3)21/h4-8,18H,9H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyHFAKKXDVPKRNOA-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.67
Rot. Bonds5

About 4-acetyl-N'-[2-(2,6-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide

4-acetyl-N'-[2-(2,6-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 9087574) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 4-acetyl-N'-[2-(2,6-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-acetyl-N'-[2-(2,6-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
PubChem CID9087574
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC Name4-acetyl-N'-[2-(2,6-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
SMILESCC(=O)c1c[nH]c(C(=O)NNC(=O)COc2c(C)cccc2C)c1
InChIInChI=1S/C17H19N3O4/c1-10-5-4-6-11(2)16(10)24-9-15(22)19-20-17(23)14-7-13(8-18-14)12(3)21/h4-8,18H,9H2,1-3H3,(H,19,22)(H,20,23)
InChIKeyHFAKKXDVPKRNOA-UHFFFAOYSA-N
XLogP1.67
TPSA100.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-N'-[2-(4-fluorophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
CID 9088554
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-phenyl-1H-pyrazole-5-carbohydrazide
CID 8889318
4-acetyl-N'-[2-(2,4-dimethylanilino)acetyl]-1H-pyrrole-2-carbohydrazide
CID 9088365
4-bromo-N'-[2-(4-chloro-2,6-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
CID 9256237
2-(2,6-dimethylphenoxy)-N'-methylacetohydrazide
CID 116820679
4-acetyl-N-[3-(3-methylphenoxy)propyl]-1H-pyrrole-2-carboxamide
CID 42575949
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate
CID 9385643
N'-[2-(2,6-dimethylphenoxy)acetyl]-4-nitrobenzohydrazide
CID 4503208
4-acetyl-1H-pyrrole-2-carbohydrazide
CID 2768115
N'-[2-(2,6-dimethylphenoxy)acetyl]-4-heptoxybenzohydrazide
CID 4950737
N'-[2-(2,6-dimethylphenoxy)acetyl]-2-phenylacetohydrazide
CID 4503699
N'-[2-(2,6-dimethylphenoxy)acetyl]-3-(3-methylbutoxy)benzohydrazide
CID 4981787

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N'-[2-(2,6-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-acetyl-N'-[2-(2,6-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide (CID 9087574) is 4-acetyl-N'-[2-(2,6-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-acetyl-N'-[2-(2,6-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-acetyl-N'-[2-(2,6-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide is CC(=O)c1c[nH]c(C(=O)NNC(=O)COc2c(C)cccc2C)c1.
What is the InChIKey of 4-acetyl-N'-[2-(2,6-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is HFAKKXDVPKRNOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-10-5-4-6-11(2)16(10)24-9-15(22)19-20-17(23)14-7-13(8-18-14)12(3)21/h4-8,18H,9H2,1-3H3,(H,19,22)(H,20,23).
What are the key properties of 4-acetyl-N'-[2-(2,6-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide?
4-acetyl-N'-[2-(2,6-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 329.36 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N'-[2-(2,6-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 9087574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).