2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide

C20H20N2O2 — CID 32577143

IUPAC2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide
SMILESCc1cc(C(=O)NOCc2ccccc2)c(C)n1-c1ccccc1
InChIInChI=1S/C20H20N2O2/c1-15-13-19(16(2)22(15)18-11-7-4-8-12-18)20(23)21-24-14-17-9-5-3-6-10-17/h3-13H,14H2,1-2H3,(H,21,23)
InChIKeyQPAAQJAGIAELRL-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.96
Rot. Bonds5

About 2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide

2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide (PubChem CID 32577143) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide
PubChem CID32577143
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide
SMILESCc1cc(C(=O)NOCc2ccccc2)c(C)n1-c1ccccc1
InChIInChI=1S/C20H20N2O2/c1-15-13-19(16(2)22(15)18-11-7-4-8-12-18)20(23)21-24-14-17-9-5-3-6-10-17/h3-13H,14H2,1-2H3,(H,21,23)
InChIKeyQPAAQJAGIAELRL-UHFFFAOYSA-N
XLogP3.96
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-N-phenylmethoxypyrrole-3-carboxamide
CID 55567277
2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)-N-phenylmethoxypyrrole-3-carboxamide
CID 32580386
2,5-dimethyl-1-phenyl-N'-(3-phenylpropanoyl)pyrrole-3-carbohydrazide
CID 40714000
2-bromo-5-methyl-N-phenylmethoxybenzamide
CID 80962365
2,5-dimethyl-N-phenylmethoxybenzamide
CID 9227271
methyl 2,5-dimethyl-1-phenylpyrrole-3-carboxylate
CID 14611450
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
methyl 4-[[(2,5-dimethyl-1-phenylpyrrole-3-carbonyl)amino]carbamoyl]benzoate
CID 40714036
N'-(3,5-dimethoxy-4-methylbenzoyl)-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 30475355
N'-[3-(3,4-difluorophenyl)propanoyl]-2,5-dimethyl-1-phenylpyrrole-3-carbohydrazide
CID 55616762
2,5-dimethyl-N'-(4-phenoxybutanoyl)-1-phenylpyrrole-3-carbohydrazide
CID 40713988

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide?
The IUPAC name of 2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide (CID 32577143) is 2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide is Cc1cc(C(=O)NOCc2ccccc2)c(C)n1-c1ccccc1.
What is the InChIKey of 2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide?
The InChIKey is QPAAQJAGIAELRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-15-13-19(16(2)22(15)18-11-7-4-8-12-18)20(23)21-24-14-17-9-5-3-6-10-17/h3-13H,14H2,1-2H3,(H,21,23).
What are the key properties of 2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide?
2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-phenyl-N-phenylmethoxypyrrole-3-carboxamide is sourced from PubChem (CID 32577143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).