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

C23H25N3O3 — CID 40713988

IUPAC2,5-dimethyl-N'-(4-phenoxybutanoyl)-1-phenylpyrrole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)CCCOc2ccccc2)c(C)n1-c1ccccc1
InChIInChI=1S/C23H25N3O3/c1-17-16-21(18(2)26(17)19-10-5-3-6-11-19)23(28)25-24-22(27)14-9-15-29-20-12-7-4-8-13-20/h3-8,10-13,16H,9,14-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyWHPCLPXQEWQKBY-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.71
Rot. Bonds7

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

2,5-dimethyl-N'-(4-phenoxybutanoyl)-1-phenylpyrrole-3-carbohydrazide (PubChem CID 40713988) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2,5-dimethyl-N'-(4-phenoxybutanoyl)-1-phenylpyrrole-3-carbohydrazide.

Molecular Properties

Compound Name2,5-dimethyl-N'-(4-phenoxybutanoyl)-1-phenylpyrrole-3-carbohydrazide
PubChem CID40713988
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2,5-dimethyl-N'-(4-phenoxybutanoyl)-1-phenylpyrrole-3-carbohydrazide
SMILESCc1cc(C(=O)NNC(=O)CCCOc2ccccc2)c(C)n1-c1ccccc1
InChIInChI=1S/C23H25N3O3/c1-17-16-21(18(2)26(17)19-10-5-3-6-11-19)23(28)25-24-22(27)14-9-15-29-20-12-7-4-8-13-20/h3-8,10-13,16H,9,14-15H2,1-2H3,(H,24,27)(H,25,28)
InChIKeyWHPCLPXQEWQKBY-UHFFFAOYSA-N
XLogP3.71
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide
CID 40714000
N'-[3-(4-cyanophenyl)propanoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 41388627
N-[2-[2-[1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carbonyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 24540815
N'-(2-ethoxybenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 27683540
N-[2-(4-methoxyphenoxy)ethyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 6736808
N'-[3-(3,4-difluorophenyl)propanoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 55616762
N'-(3-indol-1-ylpropanoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 27683785
N'-(4-ethoxyphenyl)sulfonyl-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 7940958
N'-(3,5-dimethoxy-4-methylbenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 30475355
methyl 4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzoate
CID 40714036
N'-acetyl-4-phenoxybutanehydrazide
CID 30905746
4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzamide
CID 27683580

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N'-(4-phenoxybutanoyl)-1-phenylpyrrole-3-carbohydrazide?
The IUPAC name of 2,5-dimethyl-N'-(4-phenoxybutanoyl)-1-phenylpyrrole-3-carbohydrazide (CID 40713988) is 2,5-dimethyl-N'-(4-phenoxybutanoyl)-1-phenylpyrrole-3-carbohydrazide.
What is the SMILES notation for 2,5-dimethyl-N'-(4-phenoxybutanoyl)-1-phenylpyrrole-3-carbohydrazide?
The canonical SMILES for 2,5-dimethyl-N'-(4-phenoxybutanoyl)-1-phenylpyrrole-3-carbohydrazide is Cc1cc(C(=O)NNC(=O)CCCOc2ccccc2)c(C)n1-c1ccccc1.
What is the InChIKey of 2,5-dimethyl-N'-(4-phenoxybutanoyl)-1-phenylpyrrole-3-carbohydrazide?
The InChIKey is WHPCLPXQEWQKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-17-16-21(18(2)26(17)19-10-5-3-6-11-19)23(28)25-24-22(27)14-9-15-29-20-12-7-4-8-13-20/h3-8,10-13,16H,9,14-15H2,1-2H3,(H,24,27)(H,25,28).
What are the key properties of 2,5-dimethyl-N'-(4-phenoxybutanoyl)-1-phenylpyrrole-3-carbohydrazide?
2,5-dimethyl-N'-(4-phenoxybutanoyl)-1-phenylpyrrole-3-carbohydrazide has a molecular weight of 391.47 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N'-(4-phenoxybutanoyl)-1-phenylpyrrole-3-carbohydrazide is sourced from PubChem (CID 40713988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).