3-(3,5-dimethoxyphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide

C22H24N2O5 — CID 35344493

IUPAC3-(3,5-dimethoxyphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide
SMILESCOc1cc(CCC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc(OC)c1
InChIInChI=1S/C22H24N2O5/c1-28-18-11-16(12-19(13-18)29-2)5-8-20(25)23-17-6-3-15(4-7-17)14-24-21(26)9-10-22(24)27/h3-4,6-7,11-13H,5,8-10,14H2,1-2H3,(H,23,25)
InChIKeyOJRRJHSKZMRUNT-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.92
Rot. Bonds8

About 3-(3,5-dimethoxyphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide

3-(3,5-dimethoxyphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide (PubChem CID 35344493) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide
PubChem CID35344493
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name3-(3,5-dimethoxyphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide
SMILESCOc1cc(CCC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc(OC)c1
InChIInChI=1S/C22H24N2O5/c1-28-18-11-16(12-19(13-18)29-2)5-8-20(25)23-17-6-3-15(4-7-17)14-24-21(26)9-10-22(24)27/h3-4,6-7,11-13H,5,8-10,14H2,1-2H3,(H,23,25)
InChIKeyOJRRJHSKZMRUNT-UHFFFAOYSA-N
XLogP2.92
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26688109
3-(4-tert-butylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide
CID 46568652
3-(3,5-dimethoxyphenyl)-N-(4-piperidin-1-ylphenyl)propanamide
CID 26689927
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(2-fluorophenyl)propanamide
CID 35343898
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(2-methoxyethylamino)acetamide
CID 119715536
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3,5-dimethoxyphenyl)propanamide
CID 26921911
3-(3,5-dimethoxyphenyl)-N-[4-(dimethylsulfamoyl)phenyl]propanamide
CID 26704008
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide
CID 24684324
N-[4-(chloromethyl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 114299962
N-[4-[3-(3,5-dimethoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide
CID 42014719
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-methylpropanamide
CID 35341089
3-(3,5-dimethoxyphenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26588789

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide (CID 35344493) is 3-(3,5-dimethoxyphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide is COc1cc(CCC(=O)Nc2ccc(CN3C(=O)CCC3=O)cc2)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide?
The InChIKey is OJRRJHSKZMRUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-28-18-11-16(12-19(13-18)29-2)5-8-20(25)23-17-6-3-15(4-7-17)14-24-21(26)9-10-22(24)27/h3-4,6-7,11-13H,5,8-10,14H2,1-2H3,(H,23,25).
What are the key properties of 3-(3,5-dimethoxyphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide?
3-(3,5-dimethoxyphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide has a molecular weight of 396.44 g/mol, XLogP of 2.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide is sourced from PubChem (CID 35344493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).