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

C17H20N4O3 — CID 9088365

IUPAC4-acetyl-N'-[2-(2,4-dimethylanilino)acetyl]-1H-pyrrole-2-carbohydrazide
SMILESCC(=O)c1c[nH]c(C(=O)NNC(=O)CNc2ccc(C)cc2C)c1
InChIInChI=1S/C17H20N4O3/c1-10-4-5-14(11(2)6-10)19-9-16(23)20-21-17(24)15-7-13(8-18-15)12(3)22/h4-8,18-19H,9H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyMNMPILOBWJHAPJ-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.71
Rot. Bonds5

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

4-acetyl-N'-[2-(2,4-dimethylanilino)acetyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 9088365) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 4-acetyl-N'-[2-(2,4-dimethylanilino)acetyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-acetyl-N'-[2-(2,4-dimethylanilino)acetyl]-1H-pyrrole-2-carbohydrazide
PubChem CID9088365
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name4-acetyl-N'-[2-(2,4-dimethylanilino)acetyl]-1H-pyrrole-2-carbohydrazide
SMILESCC(=O)c1c[nH]c(C(=O)NNC(=O)CNc2ccc(C)cc2C)c1
InChIInChI=1S/C17H20N4O3/c1-10-4-5-14(11(2)6-10)19-9-16(23)20-21-17(24)15-7-13(8-18-15)12(3)22/h4-8,18-19H,9H2,1-3H3,(H,20,23)(H,21,24)
InChIKeyMNMPILOBWJHAPJ-UHFFFAOYSA-N
XLogP1.71
TPSA103.09 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.71
H-Bond Donors ≤ 54
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-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 9084845
N'-[2-(2,4-dimethylanilino)acetyl]thiophene-3-carbohydrazide
CID 51429705
4-acetyl-N-(2,5-dimethylphenyl)-1H-pyrrole-2-carboxamide
CID 8867620
4-acetyl-N'-[2-(2,6-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
CID 9087574
N'-[2-(2,4-dimethylanilino)acetyl]-5,6,7,8-tetrahydronaphthalene-2-carbohydrazide
CID 9273255
N'-[2-(2,4-dimethylanilino)acetyl]-3-phenyl-2-sulfanylidene-1H-imidazole-4-carbohydrazide
CID 55495208
N'-[2-(2,4-dimethylanilino)acetyl]naphthalene-1-carbohydrazide
CID 102603460
N'-[2-(2,4-dimethylanilino)acetyl]-4-[ethyl(propan-2-yl)amino]benzohydrazide
CID 56503126
4-acetyl-N-(4-fluoro-2-methylphenyl)-1H-pyrrole-2-carboxamide
CID 31458266
2-(4-chlorophenyl)-N'-[2-(2,4-dimethylanilino)acetyl]acetohydrazide
CID 7923263
4-acetyl-N'-[2-(4-fluorophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
CID 9088554
N'-[2-(2,4-dimethylanilino)acetyl]-4-(3,4-dimethylphenyl)-4-oxobutanehydrazide
CID 55406874

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N'-[2-(2,4-dimethylanilino)acetyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-acetyl-N'-[2-(2,4-dimethylanilino)acetyl]-1H-pyrrole-2-carbohydrazide (CID 9088365) is 4-acetyl-N'-[2-(2,4-dimethylanilino)acetyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-acetyl-N'-[2-(2,4-dimethylanilino)acetyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-acetyl-N'-[2-(2,4-dimethylanilino)acetyl]-1H-pyrrole-2-carbohydrazide is CC(=O)c1c[nH]c(C(=O)NNC(=O)CNc2ccc(C)cc2C)c1.
What is the InChIKey of 4-acetyl-N'-[2-(2,4-dimethylanilino)acetyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is MNMPILOBWJHAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-10-4-5-14(11(2)6-10)19-9-16(23)20-21-17(24)15-7-13(8-18-15)12(3)22/h4-8,18-19H,9H2,1-3H3,(H,20,23)(H,21,24).
What are the key properties of 4-acetyl-N'-[2-(2,4-dimethylanilino)acetyl]-1H-pyrrole-2-carbohydrazide?
4-acetyl-N'-[2-(2,4-dimethylanilino)acetyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 328.37 g/mol, XLogP of 1.71, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N'-[2-(2,4-dimethylanilino)acetyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 9088365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).