4-acetyl-N'-[2-(4-methoxyanilino)acetyl]-3,5-dimethyl-1H-pyrrole-2-carbohydrazide

C18H22N4O4 — CID 55350767

IUPAC4-acetyl-N'-[2-(4-methoxyanilino)acetyl]-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1
InChIInChI=1S/C18H22N4O4/c1-10-16(12(3)23)11(2)20-17(10)18(25)22-21-15(24)9-19-13-5-7-14(26-4)8-6-13/h5-8,19-20H,9H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyGAKDHXMPCRADLG-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.72
Rot. Bonds6

About 4-acetyl-N'-[2-(4-methoxyanilino)acetyl]-3,5-dimethyl-1H-pyrrole-2-carbohydrazide

4-acetyl-N'-[2-(4-methoxyanilino)acetyl]-3,5-dimethyl-1H-pyrrole-2-carbohydrazide (PubChem CID 55350767) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 4-acetyl-N'-[2-(4-methoxyanilino)acetyl]-3,5-dimethyl-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-acetyl-N'-[2-(4-methoxyanilino)acetyl]-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
PubChem CID55350767
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name4-acetyl-N'-[2-(4-methoxyanilino)acetyl]-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
SMILESCOc1ccc(NCC(=O)NNC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1
InChIInChI=1S/C18H22N4O4/c1-10-16(12(3)23)11(2)20-17(10)18(25)22-21-15(24)9-19-13-5-7-14(26-4)8-6-13/h5-8,19-20H,9H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyGAKDHXMPCRADLG-UHFFFAOYSA-N
XLogP1.72
TPSA112.32 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-acetyl-N'-[2-(4-methoxyanilino)acetyl]-3,5-dimethyl-1H-pyrrole-2-carbohydrazide with MolForge

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

Launch Full Analysis

Related Compounds

2,5-dimethoxy-N'-[2-(4-methoxyanilino)acetyl]benzohydrazide
CID 55361417
4-acetyl-N-(3,4-dimethoxyphenyl)-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 2519212
4-acetyl-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 25335187
4-acetyl-N'-[(2S)-2-(4-fluorophenoxy)propanoyl]-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
CID 31721136
[2-[bis(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate
CID 55390522
1-[[2-(4-methoxyanilino)acetyl]amino]-3-(2-methoxyethyl)thiourea
CID 8617417
N'-[2-(4-methoxyanilino)acetyl]-5-methyl-1-benzofuran-2-carbohydrazide
CID 55939760
[2-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 3343545
2-(4-methoxyanilino)-N-phenylacetamide
CID 7636829
5-(4-chlorophenyl)-N'-[2-(4-methoxyanilino)acetyl]-1H-pyrazole-4-carbohydrazide
CID 55497230
4-acetyl-N'-(2,4-dimethylbenzoyl)-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
CID 18106384
4-(4-methoxyphenyl)-5-methyl-N'-[2-(4-methylanilino)acetyl]thiophene-2-carbohydrazide
CID 78835011

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N'-[2-(4-methoxyanilino)acetyl]-3,5-dimethyl-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-acetyl-N'-[2-(4-methoxyanilino)acetyl]-3,5-dimethyl-1H-pyrrole-2-carbohydrazide (CID 55350767) is 4-acetyl-N'-[2-(4-methoxyanilino)acetyl]-3,5-dimethyl-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-acetyl-N'-[2-(4-methoxyanilino)acetyl]-3,5-dimethyl-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-acetyl-N'-[2-(4-methoxyanilino)acetyl]-3,5-dimethyl-1H-pyrrole-2-carbohydrazide is COc1ccc(NCC(=O)NNC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1.
What is the InChIKey of 4-acetyl-N'-[2-(4-methoxyanilino)acetyl]-3,5-dimethyl-1H-pyrrole-2-carbohydrazide?
The InChIKey is GAKDHXMPCRADLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-10-16(12(3)23)11(2)20-17(10)18(25)22-21-15(24)9-19-13-5-7-14(26-4)8-6-13/h5-8,19-20H,9H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of 4-acetyl-N'-[2-(4-methoxyanilino)acetyl]-3,5-dimethyl-1H-pyrrole-2-carbohydrazide?
4-acetyl-N'-[2-(4-methoxyanilino)acetyl]-3,5-dimethyl-1H-pyrrole-2-carbohydrazide has a molecular weight of 358.40 g/mol, XLogP of 1.72, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N'-[2-(4-methoxyanilino)acetyl]-3,5-dimethyl-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 55350767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).