1-(2,4-dihydroxybenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide

C14H18N2O4 — CID 106151768

IUPAC1-(2,4-dihydroxybenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)c2ccc(O)cc2O)C1
InChIInChI=1S/C14H18N2O4/c1-14(13(20)15-2)5-6-16(8-14)12(19)10-4-3-9(17)7-11(10)18/h3-4,7,17-18H,5-6,8H2,1-2H3,(H,15,20)
InChIKeyUIVJYISBSBAPRJ-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.70
Rot. Bonds2

About 1-(2,4-dihydroxybenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(2,4-dihydroxybenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106151768) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(2,4-dihydroxybenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,4-dihydroxybenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106151768
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-(2,4-dihydroxybenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)c2ccc(O)cc2O)C1
InChIInChI=1S/C14H18N2O4/c1-14(13(20)15-2)5-6-16(8-14)12(19)10-4-3-9(17)7-11(10)18/h3-4,7,17-18H,5-6,8H2,1-2H3,(H,15,20)
InChIKeyUIVJYISBSBAPRJ-UHFFFAOYSA-N
XLogP0.70
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dihydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 103892619
(2,4-dihydroxyphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81103134
1-(2-bromofuran-3-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151780
1-(2-hydroxy-4-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146777
1-(2,6-dichloropyridine-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151782
(2,4-dihydroxyphenyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406432
1-(4-amino-3-methylbenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317442
1-(3-amino-2-bromobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317517
(2,4-dihydroxyphenyl)-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
CID 103892687
1-[4-(chloromethyl)benzoyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317992
2-[3-methyl-3-(methylcarbamoyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 106317951
1-(3-cyanobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151815

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dihydroxybenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,4-dihydroxybenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106151768) is 1-(2,4-dihydroxybenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,4-dihydroxybenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,4-dihydroxybenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(C(=O)c2ccc(O)cc2O)C1.
What is the InChIKey of 1-(2,4-dihydroxybenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is UIVJYISBSBAPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-14(13(20)15-2)5-6-16(8-14)12(19)10-4-3-9(17)7-11(10)18/h3-4,7,17-18H,5-6,8H2,1-2H3,(H,15,20).
What are the key properties of 1-(2,4-dihydroxybenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(2,4-dihydroxybenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 278.31 g/mol, XLogP of 0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dihydroxybenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106151768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).