N'-(2-ethoxybenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide

C22H23N3O3 — CID 27683540

IUPACN'-(2-ethoxybenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
SMILESCCOc1ccccc1C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C
InChIInChI=1S/C22H23N3O3/c1-4-28-20-13-9-8-12-18(20)21(26)23-24-22(27)19-14-15(2)25(16(19)3)17-10-6-5-7-11-17/h5-14H,4H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyWSSRGTIOLAFMGI-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.57
Rot. Bonds5

About N'-(2-ethoxybenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide

N'-(2-ethoxybenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide (PubChem CID 27683540) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N'-(2-ethoxybenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide.

Molecular Properties

Compound NameN'-(2-ethoxybenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
PubChem CID27683540
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN'-(2-ethoxybenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
SMILESCCOc1ccccc1C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C
InChIInChI=1S/C22H23N3O3/c1-4-28-20-13-9-8-12-18(20)21(26)23-24-22(27)19-14-15(2)25(16(19)3)17-10-6-5-7-11-17/h5-14H,4H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyWSSRGTIOLAFMGI-UHFFFAOYSA-N
XLogP3.57
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N'-(4-ethoxyphenyl)sulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 7940958
N-(2,5-diethoxyphenyl)-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 34741571
N'-(3,5-dimethoxy-4-methylbenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 30475355
2,5-dimethyl-N'-(4-phenoxybutanoyl)-1-phenylpyrrole-3-carbohydrazide
CID 40713988
methyl 4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzoate
CID 40714036
2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide
CID 40714000
4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzamide
CID 27683580
2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide
CID 32577143
N'-(3,4-difluorobenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 40673432
1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(3-ethoxyphenoxy)ethanone
CID 110656317
N-[2-[2-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 24540815
[(2R)-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-1-oxopropan-2-yl] 4-ethoxy-3-methoxybenzoate
CID 7261666

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethoxybenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide?
The IUPAC name of N'-(2-ethoxybenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide (CID 27683540) is N'-(2-ethoxybenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide.
What is the SMILES notation for N'-(2-ethoxybenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide?
The canonical SMILES for N'-(2-ethoxybenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide is CCOc1ccccc1C(=O)NNC(=O)c1cc(C)n(-c2ccccc2)c1C.
What is the InChIKey of N'-(2-ethoxybenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide?
The InChIKey is WSSRGTIOLAFMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-4-28-20-13-9-8-12-18(20)21(26)23-24-22(27)19-14-15(2)25(16(19)3)17-10-6-5-7-11-17/h5-14H,4H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of N'-(2-ethoxybenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide?
N'-(2-ethoxybenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide has a molecular weight of 377.44 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethoxybenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide is sourced from PubChem (CID 27683540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).