1-(2,3-dimethylphenyl)-5-oxo-N-propyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide

C20H29N3O2 — CID 119532194

IUPAC1-(2,3-dimethylphenyl)-5-oxo-N-propyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
SMILESCCCN(C(=O)C1CC(=O)N(c2cccc(C)c2C)C1)C1CCNC1
InChIInChI=1S/C20H29N3O2/c1-4-10-22(17-8-9-21-12-17)20(25)16-11-19(24)23(13-16)18-7-5-6-14(2)15(18)3/h5-7,16-17,21H,4,8-13H2,1-3H3
InChIKeyDMDAMFGOIZSVNB-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.26
Rot. Bonds5

About 1-(2,3-dimethylphenyl)-5-oxo-N-propyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide

1-(2,3-dimethylphenyl)-5-oxo-N-propyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide (PubChem CID 119532194) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-5-oxo-N-propyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-5-oxo-N-propyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
PubChem CID119532194
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name1-(2,3-dimethylphenyl)-5-oxo-N-propyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
SMILESCCCN(C(=O)C1CC(=O)N(c2cccc(C)c2C)C1)C1CCNC1
InChIInChI=1S/C20H29N3O2/c1-4-10-22(17-8-9-21-12-17)20(25)16-11-19(24)23(13-16)18-7-5-6-14(2)15(18)3/h5-7,16-17,21H,4,8-13H2,1-3H3
InChIKeyDMDAMFGOIZSVNB-UHFFFAOYSA-N
XLogP2.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxyphenyl)-5-oxo-N-propyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119532928
1-(2-chlorophenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide;hydrochloride
CID 119823179
(3R)-N-cyclopentyl-1-(2,3-dimethylphenyl)-5-oxo-N-prop-2-enylpyrrolidine-3-carboxamide
CID 51966524
(3R)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 673097
1-(4-methylsulfanylphenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide
CID 119825266
1-(3,5-dimethoxyphenyl)-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide
CID 119826415
1-methyl-5-oxo-N-piperidin-4-yl-N-propylpyrrolidine-3-carboxamide
CID 119824892
2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 119209621
1-(2,3-dimethylphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-5-oxo-N-propylpyrrolidine-3-carboxamide
CID 55330530
N-(2-amino-2-oxoethyl)-1-(2,3-dimethylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 112794097
N-[2-(tert-butylamino)-2-oxoethyl]-1-(2,3-dimethylphenyl)-N-ethyl-5-oxopyrrolidine-3-carboxamide
CID 51156735
2-[[1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]acetic acid
CID 119137112

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-5-oxo-N-propyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dimethylphenyl)-5-oxo-N-propyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide (CID 119532194) is 1-(2,3-dimethylphenyl)-5-oxo-N-propyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-5-oxo-N-propyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dimethylphenyl)-5-oxo-N-propyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide is CCCN(C(=O)C1CC(=O)N(c2cccc(C)c2C)C1)C1CCNC1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-5-oxo-N-propyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide?
The InChIKey is DMDAMFGOIZSVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-4-10-22(17-8-9-21-12-17)20(25)16-11-19(24)23(13-16)18-7-5-6-14(2)15(18)3/h5-7,16-17,21H,4,8-13H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-5-oxo-N-propyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide?
1-(2,3-dimethylphenyl)-5-oxo-N-propyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-5-oxo-N-propyl-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 119532194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).