3-(3,5-dimethoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide

C21H24N2O4 — CID 8589880

IUPAC3-(3,5-dimethoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCOc1cc(CCC(=O)Nc2cccc(N3CCCC3=O)c2)cc(OC)c1
InChIInChI=1S/C21H24N2O4/c1-26-18-11-15(12-19(14-18)27-2)8-9-20(24)22-16-5-3-6-17(13-16)23-10-4-7-21(23)25/h3,5-6,11-14H,4,7-10H2,1-2H3,(H,22,24)
InChIKeyQABVJIKFHXBRID-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.40
Rot. Bonds7

About 3-(3,5-dimethoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide

3-(3,5-dimethoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide (PubChem CID 8589880) has the molecular formula C21H24N2O4 and a molecular weight of 368.43 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
PubChem CID8589880
Molecular FormulaC21H24N2O4
Molecular Weight368.43 g/mol
Exact Mass368.17
IUPAC Name3-(3,5-dimethoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCOc1cc(CCC(=O)Nc2cccc(N3CCCC3=O)c2)cc(OC)c1
InChIInChI=1S/C21H24N2O4/c1-26-18-11-15(12-19(14-18)27-2)8-9-20(24)22-16-5-3-6-17(13-16)23-10-4-7-21(23)25/h3,5-6,11-14H,4,7-10H2,1-2H3,(H,22,24)
InChIKeyQABVJIKFHXBRID-UHFFFAOYSA-N
XLogP3.40
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide (CID 8589880) is 3-(3,5-dimethoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide is COc1cc(CCC(=O)Nc2cccc(N3CCCC3=O)c2)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is QABVJIKFHXBRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4/c1-26-18-11-15(12-19(14-18)27-2)8-9-20(24)22-16-5-3-6-17(13-16)23-10-4-7-21(23)25/h3,5-6,11-14H,4,7-10H2,1-2H3,(H,22,24).
What are the key properties of 3-(3,5-dimethoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
3-(3,5-dimethoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 368.43 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 8589880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).