N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide

C22H23N3O4 — CID 2672602

IUPACN-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)CCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H23N3O4/c1-14-8-9-15(2)18(12-14)23-19(26)13-24(3)20(27)10-11-25-21(28)16-6-4-5-7-17(16)22(25)29/h4-9,12H,10-11,13H2,1-3H3,(H,23,26)
InChIKeyRLDMRPHRFBJWCC-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.39
Rot. Bonds6

About N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide

N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide (PubChem CID 2672602) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide
PubChem CID2672602
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide
SMILESCc1ccc(C)c(NC(=O)CN(C)C(=O)CCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H23N3O4/c1-14-8-9-15(2)18(12-14)23-19(26)13-24(3)20(27)10-11-25-21(28)16-6-4-5-7-17(16)22(25)29/h4-9,12H,10-11,13H2,1-3H3,(H,23,26)
InChIKeyRLDMRPHRFBJWCC-UHFFFAOYSA-N
XLogP2.39
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.39
H-Bond Donors ≤ 51
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-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide?
The IUPAC name of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide (CID 2672602) is N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide.
What is the SMILES notation for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide?
The canonical SMILES for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide is Cc1ccc(C)c(NC(=O)CN(C)C(=O)CCN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide?
The InChIKey is RLDMRPHRFBJWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-14-8-9-15(2)18(12-14)23-19(26)13-24(3)20(27)10-11-25-21(28)16-6-4-5-7-17(16)22(25)29/h4-9,12H,10-11,13H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide?
N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide has a molecular weight of 393.44 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-(1,3-dioxoisoindol-2-yl)-N-methylpropanamide is sourced from PubChem (CID 2672602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).