(3R)-1-(3,5-dimethylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide

C16H22N2O2 — CID 40965916

IUPAC(3R)-1-(3,5-dimethylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1
InChIInChI=1S/C16H22N2O2/c1-4-5-17-16(20)13-9-15(19)18(10-13)14-7-11(2)6-12(3)8-14/h6-8,13H,4-5,9-10H2,1-3H3,(H,17,20)/t13-/m1/s1
InChIKeyFXJAYZVZHRTODA-CYBMUJFWSA-N
MW274.36 g/mol
LogP2.18
Rot. Bonds4

About (3R)-1-(3,5-dimethylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide

(3R)-1-(3,5-dimethylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide (PubChem CID 40965916) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (3R)-1-(3,5-dimethylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(3,5-dimethylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
PubChem CID40965916
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(3R)-1-(3,5-dimethylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1
InChIInChI=1S/C16H22N2O2/c1-4-5-17-16(20)13-9-15(19)18(10-13)14-7-11(2)6-12(3)8-14/h6-8,13H,4-5,9-10H2,1-3H3,(H,17,20)/t13-/m1/s1
InChIKeyFXJAYZVZHRTODA-CYBMUJFWSA-N
XLogP2.18
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethylphenyl)-5-oxo-N-pentan-2-ylpyrrolidine-3-carboxamide
CID 17120866
1-(3,5-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 17120911
1-(4-chlorophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 2844952
1-(3,5-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113186176
1-[4-[2-(3,5-dimethylanilino)-2-oxoethoxy]phenyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 3154408
1-(3-bromophenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 84503378
1-(3,5-dimethylphenyl)-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 46109979
1-(4-methylphenyl)-N-octyl-5-oxopyrrolidine-3-carboxamide
CID 108793622
ethyl (3S)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075693
(3R)-1-(3,5-dimethylphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9005233
1-(3,5-dimethylphenyl)-N-[(2-fluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 46109987
1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50874050

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(3,5-dimethylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(3,5-dimethylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide (CID 40965916) is (3R)-1-(3,5-dimethylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(3,5-dimethylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(3,5-dimethylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide is CCCNC(=O)[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1.
What is the InChIKey of (3R)-1-(3,5-dimethylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
The InChIKey is FXJAYZVZHRTODA-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-5-17-16(20)13-9-15(19)18(10-13)14-7-11(2)6-12(3)8-14/h6-8,13H,4-5,9-10H2,1-3H3,(H,17,20)/t13-/m1/s1.
What are the key properties of (3R)-1-(3,5-dimethylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide?
(3R)-1-(3,5-dimethylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(3,5-dimethylphenyl)-5-oxo-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 40965916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).