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

C20H20N2O4 — CID 166256025

IUPACN-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(3-hydroxyphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cccc(O)c1
InChIInChI=1S/C20H20N2O4/c1-13(15-3-2-4-17(23)11-15)20(26)21-16-7-5-14(6-8-16)12-22-18(24)9-10-19(22)25/h2-8,11,13,23H,9-10,12H2,1H3,(H,21,26)
InChIKeyCHYXSHBHPDQOEW-UHFFFAOYSA-N
MW352.39 g/mol
LogP2.78
Rot. Bonds5

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

N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(3-hydroxyphenyl)propanamide (PubChem CID 166256025) has the molecular formula C20H20N2O4 and a molecular weight of 352.39 g/mol. Its IUPAC name is N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(3-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(3-hydroxyphenyl)propanamide
PubChem CID166256025
Molecular FormulaC20H20N2O4
Molecular Weight352.39 g/mol
Exact Mass352.14
IUPAC NameN-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(3-hydroxyphenyl)propanamide
SMILESCC(C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cccc(O)c1
InChIInChI=1S/C20H20N2O4/c1-13(15-3-2-4-17(23)11-15)20(26)21-16-7-5-14(6-8-16)12-22-18(24)9-10-19(22)25/h2-8,11,13,23H,9-10,12H2,1H3,(H,21,26)
InChIKeyCHYXSHBHPDQOEW-UHFFFAOYSA-N
XLogP2.78
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-methylpropanamide
CID 35341089
(2S,3S)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methyl-2-phenylpentanamide
CID 51933857
2-amino-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylpentanamide;hydrochloride
CID 119715529
ethyl N-[1-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]anilino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 46431121
2-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]propanehydrazide
CID 105352178
1-[2-(3-hydroxyphenyl)propanoyl]piperidin-2-one
CID 23036974
(2R)-N-(3-hydroxyphenyl)-2-[4-(2-methylpropyl)phenyl]propanamide
CID 675116
(2S)-2-amino-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119284992
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylbut-2-enamide
CID 30804626
N-[4-(2-hydroxyethyl)phenyl]-2-(3-methylphenyl)propanamide
CID 111442382
3-[4-[2-(3-fluorophenyl)propanoylamino]phenyl]-2-methylpropanoic acid
CID 120541256
2-(3-aminophenyl)-N-(4-chlorophenyl)propanamide
CID 106590705

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(3-hydroxyphenyl)propanamide?
The IUPAC name of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(3-hydroxyphenyl)propanamide (CID 166256025) is N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(3-hydroxyphenyl)propanamide.
What is the SMILES notation for N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(3-hydroxyphenyl)propanamide?
The canonical SMILES for N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(3-hydroxyphenyl)propanamide is CC(C(=O)Nc1ccc(CN2C(=O)CCC2=O)cc1)c1cccc(O)c1.
What is the InChIKey of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(3-hydroxyphenyl)propanamide?
The InChIKey is CHYXSHBHPDQOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4/c1-13(15-3-2-4-17(23)11-15)20(26)21-16-7-5-14(6-8-16)12-22-18(24)9-10-19(22)25/h2-8,11,13,23H,9-10,12H2,1H3,(H,21,26).
What are the key properties of N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(3-hydroxyphenyl)propanamide?
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(3-hydroxyphenyl)propanamide has a molecular weight of 352.39 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(3-hydroxyphenyl)propanamide is sourced from PubChem (CID 166256025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).