1-(4,5-dihydroxy-2-methylbenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide

C15H20N2O4 — CID 167765690

IUPAC1-(4,5-dihydroxy-2-methylbenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCc1cc(O)c(O)cc1C(=O)N1CCCC1C(=O)N(C)C
InChIInChI=1S/C15H20N2O4/c1-9-7-12(18)13(19)8-10(9)14(20)17-6-4-5-11(17)15(21)16(2)3/h7-8,11,18-19H,4-6H2,1-3H3
InChIKeyYKIJHXAPHRDSPL-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.10
Rot. Bonds2

About 1-(4,5-dihydroxy-2-methylbenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide

1-(4,5-dihydroxy-2-methylbenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 167765690) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-(4,5-dihydroxy-2-methylbenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(4,5-dihydroxy-2-methylbenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID167765690
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Name1-(4,5-dihydroxy-2-methylbenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCc1cc(O)c(O)cc1C(=O)N1CCCC1C(=O)N(C)C
InChIInChI=1S/C15H20N2O4/c1-9-7-12(18)13(19)8-10(9)14(20)17-6-4-5-11(17)15(21)16(2)3/h7-8,11,18-19H,4-6H2,1-3H3
InChIKeyYKIJHXAPHRDSPL-UHFFFAOYSA-N
XLogP1.10
TPSA81.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(5-chloro-2-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60706860
1-(2,6-dichloropyridine-4-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 60717068
1-(5-amino-2-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575372
1-(5-hydroxypyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 63859028
1-(2-methoxybenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 42939595
1-(2-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 107358837
1-[2-hydroxy-3-(trifluoromethyl)benzoyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 127266189
1-(5-iodothiophene-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 78949483
1-(3-amino-4-fluorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 43575377
1-(4-bromo-3-chlorobenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 80979299
2-(dimethylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 89401620
1-(4-chloro-5-fluoropyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 126840807

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydroxy-2-methylbenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(4,5-dihydroxy-2-methylbenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide (CID 167765690) is 1-(4,5-dihydroxy-2-methylbenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(4,5-dihydroxy-2-methylbenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(4,5-dihydroxy-2-methylbenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide is Cc1cc(O)c(O)cc1C(=O)N1CCCC1C(=O)N(C)C.
What is the InChIKey of 1-(4,5-dihydroxy-2-methylbenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is YKIJHXAPHRDSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9-7-12(18)13(19)8-10(9)14(20)17-6-4-5-11(17)15(21)16(2)3/h7-8,11,18-19H,4-6H2,1-3H3.
What are the key properties of 1-(4,5-dihydroxy-2-methylbenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide?
1-(4,5-dihydroxy-2-methylbenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydroxy-2-methylbenzoyl)-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 167765690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).