N-[4-(dimethylamino)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide

C19H19N3O3 — CID 867569

IUPACN-[4-(dimethylamino)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESCN(C)c1ccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1
InChIInChI=1S/C19H19N3O3/c1-21(2)15-8-6-14(7-9-15)20-19(25)13-4-3-5-16(12-13)22-17(23)10-11-18(22)24/h3-9,12H,10-11H2,1-2H3,(H,20,25)
InChIKeyTUEXAXXRRLPMAZ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.66
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide

N-[4-(dimethylamino)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide (PubChem CID 867569) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
PubChem CID867569
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[4-(dimethylamino)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESCN(C)c1ccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1
InChIInChI=1S/C19H19N3O3/c1-21(2)15-8-6-14(7-9-15)20-19(25)13-4-3-5-16(12-13)22-17(23)10-11-18(22)24/h3-9,12H,10-11H2,1-2H3,(H,20,25)
InChIKeyTUEXAXXRRLPMAZ-UHFFFAOYSA-N
XLogP2.66
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide (CID 867569) is N-[4-(dimethylamino)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide is CN(C)c1ccc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The InChIKey is TUEXAXXRRLPMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-21(2)15-8-6-14(7-9-15)20-19(25)13-4-3-5-16(12-13)22-17(23)10-11-18(22)24/h3-9,12H,10-11H2,1-2H3,(H,20,25).
What are the key properties of N-[4-(dimethylamino)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
N-[4-(dimethylamino)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide has a molecular weight of 337.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 867569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).