N'-(3,5-dimethoxy-4-methylbenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide

C23H25N3O4 — CID 30475355

IUPACN'-(3,5-dimethoxy-4-methylbenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)cc(OC)c1C
InChIInChI=1S/C23H25N3O4/c1-14-11-19(16(3)26(14)18-9-7-6-8-10-18)23(28)25-24-22(27)17-12-20(29-4)15(2)21(13-17)30-5/h6-13H,1-5H3,(H,24,27)(H,25,28)
InChIKeyUIWCPSFMUWJVFC-UHFFFAOYSA-N
MW407.47 g/mol
LogP3.49
Rot. Bonds5

About N'-(3,5-dimethoxy-4-methylbenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide

N'-(3,5-dimethoxy-4-methylbenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide (PubChem CID 30475355) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is N'-(3,5-dimethoxy-4-methylbenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(3,5-dimethoxy-4-methylbenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
PubChem CID30475355
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC NameN'-(3,5-dimethoxy-4-methylbenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
SMILESCOc1cc(C(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)cc(OC)c1C
InChIInChI=1S/C23H25N3O4/c1-14-11-19(16(3)26(14)18-9-7-6-8-10-18)23(28)25-24-22(27)17-12-20(29-4)15(2)21(13-17)30-5/h6-13H,1-5H3,(H,24,27)(H,25,28)
InChIKeyUIWCPSFMUWJVFC-UHFFFAOYSA-N
XLogP3.49
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzoate
CID 40714036
N'-[4-(difluoromethoxy)-3-methoxybenzoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 26821238
4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzamide
CID 27683580
N'-(2-ethoxybenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 27683540
N'-(3,4-difluorobenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 40673432
N'-(2-chlorobenzoyl)-3,5-dimethoxy-4-methylbenzohydrazide
CID 35930751
methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 14611450
2,5-dimethyl-N'-(4-phenoxybutanoyl)-1-phenylpyrrole-3-carbohydrazide
CID 40713988
2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide
CID 40714000
N'-(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)-6-oxo-1H-pyridazine-3-carbohydrazide
CID 2403352
2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide
CID 32577143
N-[2-(4-methoxyphenoxy)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 6736808

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethoxy-4-methylbenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide?
The IUPAC name of N'-(3,5-dimethoxy-4-methylbenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide (CID 30475355) is N'-(3,5-dimethoxy-4-methylbenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide.
What is the SMILES notation for N'-(3,5-dimethoxy-4-methylbenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide?
The canonical SMILES for N'-(3,5-dimethoxy-4-methylbenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide is COc1cc(C(=O)NNC(=O)c2cc(C)n(-c3ccccc3)c2C)cc(OC)c1C.
What is the InChIKey of N'-(3,5-dimethoxy-4-methylbenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide?
The InChIKey is UIWCPSFMUWJVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-14-11-19(16(3)26(14)18-9-7-6-8-10-18)23(28)25-24-22(27)17-12-20(29-4)15(2)21(13-17)30-5/h6-13H,1-5H3,(H,24,27)(H,25,28).
What are the key properties of N'-(3,5-dimethoxy-4-methylbenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide?
N'-(3,5-dimethoxy-4-methylbenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide has a molecular weight of 407.47 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethoxy-4-methylbenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide is sourced from PubChem (CID 30475355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).