1-[1-(2,6-dihydroxyphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide

C15H22N2O3 — CID 106322633

IUPAC1-[1-(2,6-dihydroxyphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(C)c2c(O)cccc2O)C1
InChIInChI=1S/C15H22N2O3/c1-10(13-11(18)5-4-6-12(13)19)17-8-7-15(2,9-17)14(20)16-3/h4-6,10,18-19H,7-9H2,1-3H3,(H,16,20)
InChIKeyQPYDVPYEVQFRMZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.62
Rot. Bonds3

About 1-[1-(2,6-dihydroxyphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide

1-[1-(2,6-dihydroxyphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106322633) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[1-(2,6-dihydroxyphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(2,6-dihydroxyphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106322633
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[1-(2,6-dihydroxyphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(C)c2c(O)cccc2O)C1
InChIInChI=1S/C15H22N2O3/c1-10(13-11(18)5-4-6-12(13)19)17-8-7-15(2,9-17)14(20)16-3/h4-6,10,18-19H,7-9H2,1-3H3,(H,16,20)
InChIKeyQPYDVPYEVQFRMZ-UHFFFAOYSA-N
XLogP1.62
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N,3-dimethyl-1-(1-oxo-1-phenylbutan-2-yl)pyrrolidine-3-carboxamide
CID 106319174
1-[2-amino-1-(3-bromophenyl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317790
1-[2-amino-1-(furan-2-yl)propyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317794
2-[1-(4,4-dimethylazepan-1-yl)ethyl]benzene-1,3-diol
CID 107711960
1-[2-amino-1-(4-methylphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317853
2-[1-(4,4-diethylpiperidin-1-yl)ethyl]benzene-1,3-diol
CID 107711919
1-(2-amino-1-pyridin-2-ylethyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317859
2-cyclopropyl-2-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]acetic acid
CID 106318948
1-(1-amino-1-oxobutan-2-yl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151013
1-[(2-hydroxy-3-methylphenyl)methyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151899
3-methyl-1-[1-(4-propan-2-ylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65064030
1-(2,4-dihydroxybenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151768

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dihydroxyphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[1-(2,6-dihydroxyphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide (CID 106322633) is 1-[1-(2,6-dihydroxyphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[1-(2,6-dihydroxyphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[1-(2,6-dihydroxyphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(C(C)c2c(O)cccc2O)C1.
What is the InChIKey of 1-[1-(2,6-dihydroxyphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is QPYDVPYEVQFRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(13-11(18)5-4-6-12(13)19)17-8-7-15(2,9-17)14(20)16-3/h4-6,10,18-19H,7-9H2,1-3H3,(H,16,20).
What are the key properties of 1-[1-(2,6-dihydroxyphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide?
1-[1-(2,6-dihydroxyphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dihydroxyphenyl)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106322633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).