N-benzyl-N-tert-butyl-3-(1,3-dioxoisoindol-2-yl)propanamide

C22H24N2O3 — CID 51370669

IUPACN-benzyl-N-tert-butyl-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H24N2O3/c1-22(2,3)24(15-16-9-5-4-6-10-16)19(25)13-14-23-20(26)17-11-7-8-12-18(17)21(23)27/h4-12H,13-15H2,1-3H3
InChIKeyDBJTWRKLVMEXKT-UHFFFAOYSA-N
MW364.44 g/mol
LogP3.50
Rot. Bonds5

About N-benzyl-N-tert-butyl-3-(1,3-dioxoisoindol-2-yl)propanamide

N-benzyl-N-tert-butyl-3-(1,3-dioxoisoindol-2-yl)propanamide (PubChem CID 51370669) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is N-benzyl-N-tert-butyl-3-(1,3-dioxoisoindol-2-yl)propanamide.

Molecular Properties

Compound NameN-benzyl-N-tert-butyl-3-(1,3-dioxoisoindol-2-yl)propanamide
PubChem CID51370669
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC NameN-benzyl-N-tert-butyl-3-(1,3-dioxoisoindol-2-yl)propanamide
SMILESCC(C)(C)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H24N2O3/c1-22(2,3)24(15-16-9-5-4-6-10-16)19(25)13-14-23-20(26)17-11-7-8-12-18(17)21(23)27/h4-12H,13-15H2,1-3H3
InChIKeyDBJTWRKLVMEXKT-UHFFFAOYSA-N
XLogP3.50
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-benzyl-N-tert-butyl-3-(1,3-dioxoisoindol-2-yl)propanamide?
The IUPAC name of N-benzyl-N-tert-butyl-3-(1,3-dioxoisoindol-2-yl)propanamide (CID 51370669) is N-benzyl-N-tert-butyl-3-(1,3-dioxoisoindol-2-yl)propanamide.
What is the SMILES notation for N-benzyl-N-tert-butyl-3-(1,3-dioxoisoindol-2-yl)propanamide?
The canonical SMILES for N-benzyl-N-tert-butyl-3-(1,3-dioxoisoindol-2-yl)propanamide is CC(C)(C)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-benzyl-N-tert-butyl-3-(1,3-dioxoisoindol-2-yl)propanamide?
The InChIKey is DBJTWRKLVMEXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-22(2,3)24(15-16-9-5-4-6-10-16)19(25)13-14-23-20(26)17-11-7-8-12-18(17)21(23)27/h4-12H,13-15H2,1-3H3.
What are the key properties of N-benzyl-N-tert-butyl-3-(1,3-dioxoisoindol-2-yl)propanamide?
N-benzyl-N-tert-butyl-3-(1,3-dioxoisoindol-2-yl)propanamide has a molecular weight of 364.44 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-tert-butyl-3-(1,3-dioxoisoindol-2-yl)propanamide is sourced from PubChem (CID 51370669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).