N-[4-(dimethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

C18H17N3O3 — CID 679884

IUPACN-[4-(dimethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCN(C)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H17N3O3/c1-20(2)13-9-7-12(8-10-13)19-16(22)11-21-17(23)14-5-3-4-6-15(14)18(21)24/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyRTNOYEILCYZTIF-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.99
Rot. Bonds4

About N-[4-(dimethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide

N-[4-(dimethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (PubChem CID 679884) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
PubChem CID679884
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide
SMILESCN(C)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H17N3O3/c1-20(2)13-9-7-12(8-10-13)19-16(22)11-21-17(23)14-5-3-4-6-15(14)18(21)24/h3-10H,11H2,1-2H3,(H,19,22)
InChIKeyRTNOYEILCYZTIF-UHFFFAOYSA-N
XLogP1.99
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.99
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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Related Compounds

Lenalidomide
CID 216326
N-Phenylphthalimide
CID 68215
ML SA1
CID 2880983
2-(2-Methylphenyl)-1H-isoindole-1,3(2H)-dione
CID 94776
(3Z)-3-[[4-(dimethylamino)phenyl]methylidene]-1H-indol-2-one
CID 6450842
2,3-Dihydro-2-phenyl-1H-isoindol-1-one
CID 97035
2-(1,3-Dioxo-1,3-dihydro-isoindol-2-YL)-N-P-tolyl-acetamide
CID 344672
3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-o-tolyl-propionamide
CID 721309
1H-Isoindole-1,3(2H)-dione, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)-
CID 453179
Lenalidomide, (S)-
CID 12044976
SF-51
CID 1219451
2-[4-(dimethylamino)phenyl]-1H-isoindole-1,3(2H)-dione
CID 748674

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide (CID 679884) is N-[4-(dimethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide is CN(C)c1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
The InChIKey is RTNOYEILCYZTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-20(2)13-9-7-12(8-10-13)19-16(22)11-21-17(23)14-5-3-4-6-15(14)18(21)24/h3-10H,11H2,1-2H3,(H,19,22).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide?
N-[4-(dimethylamino)phenyl]-2-(1,3-dioxoisoindol-2-yl)acetamide has a molecular weight of 323.35 g/mol, XLogP of 1.99, 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]-2-(1,3-dioxoisoindol-2-yl)acetamide is sourced from PubChem (CID 679884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).