4-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one

C21H28N2O3 — CID 119105504

IUPAC4-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCC(OCC4CC4)C3)CC2=O)cc1C
InChIInChI=1S/C21H28N2O3/c1-14-3-6-18(9-15(14)2)23-11-17(10-20(23)24)21(25)22-8-7-19(12-22)26-13-16-4-5-16/h3,6,9,16-17,19H,4-5,7-8,10-13H2,1-2H3
InChIKeyHNWFOYPMRYKEGB-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.68
Rot. Bonds5

About 4-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one

4-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one (PubChem CID 119105504) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is 4-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
PubChem CID119105504
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name4-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(C(=O)N3CCC(OCC4CC4)C3)CC2=O)cc1C
InChIInChI=1S/C21H28N2O3/c1-14-3-6-18(9-15(14)2)23-11-17(10-20(23)24)21(25)22-8-7-19(12-22)26-13-16-4-5-16/h3,6,9,16-17,19H,4-5,7-8,10-13H2,1-2H3
InChIKeyHNWFOYPMRYKEGB-UHFFFAOYSA-N
XLogP2.68
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dimethylphenyl)-4-[3-(3-methoxypyrazin-2-yl)oxypyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 90636988
1-(3,4-dimethylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 6461557
(4R)-1-(3,4-dimethylphenyl)-4-[(3R)-3-methylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392063
1-(3,4-dimethylphenyl)-5-[3-(pyridin-4-ylmethoxy)pyrrolidine-1-carbonyl]piperidin-2-one
CID 166187721
(4R)-1-(3,4-dimethylphenyl)-4-[(3S,5S)-3,5-dimethylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 9392799
4-(4-cyclopropylidenepiperidine-1-carbonyl)-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 121186906
1-(3,4-dimethylphenyl)-4-(4-pyridin-2-yloxypiperidine-1-carbonyl)pyrrolidin-2-one
CID 71798630
3-[1-[(3R)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]-1,3-thiazolidine-2,4-dione
CID 99878226
1-(3,4-dimethylphenyl)-4-[3-(triazol-1-yl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 121150835
1-(3,4-dimethylphenyl)-4-[3-(1,3-thiazol-2-yloxy)azetidine-1-carbonyl]pyrrolidin-2-one
CID 90627494
(4S)-1-(4-bromo-3-methylphenyl)-4-[(3S)-3-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one
CID 124612979
1-(3,4-dimethylphenyl)-4-[4-[(2-ethylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90492804

Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one (CID 119105504) is 4-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one is Cc1ccc(N2CC(C(=O)N3CCC(OCC4CC4)C3)CC2=O)cc1C.
What is the InChIKey of 4-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one?
The InChIKey is HNWFOYPMRYKEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3/c1-14-3-6-18(9-15(14)2)23-11-17(10-20(23)24)21(25)22-8-7-19(12-22)26-13-16-4-5-16/h3,6,9,16-17,19H,4-5,7-8,10-13H2,1-2H3.
What are the key properties of 4-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one?
4-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one has a molecular weight of 356.47 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclopropylmethoxy)pyrrolidine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 119105504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).