N,N-dimethyl-4-[1-(oxan-4-ylmethyl)-2,5-dioxopyrrol-3-yl]benzamide

C19H22N2O4 — CID 175861783

IUPACN,N-dimethyl-4-[1-(oxan-4-ylmethyl)-2,5-dioxopyrrol-3-yl]benzamide
SMILESCN(C)C(=O)c1ccc(C2=CC(=O)N(CC3CCOCC3)C2=O)cc1
InChIInChI=1S/C19H22N2O4/c1-20(2)18(23)15-5-3-14(4-6-15)16-11-17(22)21(19(16)24)12-13-7-9-25-10-8-13/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyAIXAZQZEGGOBEF-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.57
Rot. Bonds4

About N,N-dimethyl-4-[1-(oxan-4-ylmethyl)-2,5-dioxopyrrol-3-yl]benzamide

N,N-dimethyl-4-[1-(oxan-4-ylmethyl)-2,5-dioxopyrrol-3-yl]benzamide (PubChem CID 175861783) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(oxan-4-ylmethyl)-2,5-dioxopyrrol-3-yl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(oxan-4-ylmethyl)-2,5-dioxopyrrol-3-yl]benzamide
PubChem CID175861783
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC NameN,N-dimethyl-4-[1-(oxan-4-ylmethyl)-2,5-dioxopyrrol-3-yl]benzamide
SMILESCN(C)C(=O)c1ccc(C2=CC(=O)N(CC3CCOCC3)C2=O)cc1
InChIInChI=1S/C19H22N2O4/c1-20(2)18(23)15-5-3-14(4-6-15)16-11-17(22)21(19(16)24)12-13-7-9-25-10-8-13/h3-6,11,13H,7-10,12H2,1-2H3
InChIKeyAIXAZQZEGGOBEF-UHFFFAOYSA-N
XLogP1.57
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(oxan-4-ylmethyl)-2,5-dioxopyrrol-3-yl]benzamide?
The IUPAC name of N,N-dimethyl-4-[1-(oxan-4-ylmethyl)-2,5-dioxopyrrol-3-yl]benzamide (CID 175861783) is N,N-dimethyl-4-[1-(oxan-4-ylmethyl)-2,5-dioxopyrrol-3-yl]benzamide.
What is the SMILES notation for N,N-dimethyl-4-[1-(oxan-4-ylmethyl)-2,5-dioxopyrrol-3-yl]benzamide?
The canonical SMILES for N,N-dimethyl-4-[1-(oxan-4-ylmethyl)-2,5-dioxopyrrol-3-yl]benzamide is CN(C)C(=O)c1ccc(C2=CC(=O)N(CC3CCOCC3)C2=O)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-(oxan-4-ylmethyl)-2,5-dioxopyrrol-3-yl]benzamide?
The InChIKey is AIXAZQZEGGOBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-20(2)18(23)15-5-3-14(4-6-15)16-11-17(22)21(19(16)24)12-13-7-9-25-10-8-13/h3-6,11,13H,7-10,12H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[1-(oxan-4-ylmethyl)-2,5-dioxopyrrol-3-yl]benzamide?
N,N-dimethyl-4-[1-(oxan-4-ylmethyl)-2,5-dioxopyrrol-3-yl]benzamide has a molecular weight of 342.40 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(oxan-4-ylmethyl)-2,5-dioxopyrrol-3-yl]benzamide is sourced from PubChem (CID 175861783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).