N-benzyl-2-ethyl-1,3-dioxoisoindole-5-carboxamide

C18H16N2O3 — CID 976512

IUPACN-benzyl-2-ethyl-1,3-dioxoisoindole-5-carboxamide
SMILESCCN1C(=O)c2ccc(C(=O)NCc3ccccc3)cc2C1=O
InChIInChI=1S/C18H16N2O3/c1-2-20-17(22)14-9-8-13(10-15(14)18(20)23)16(21)19-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeyDXRQRJYHQXRXFD-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.23
Rot. Bonds4

About N-benzyl-2-ethyl-1,3-dioxoisoindole-5-carboxamide

N-benzyl-2-ethyl-1,3-dioxoisoindole-5-carboxamide (PubChem CID 976512) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-benzyl-2-ethyl-1,3-dioxoisoindole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-ethyl-1,3-dioxoisoindole-5-carboxamide
PubChem CID976512
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-benzyl-2-ethyl-1,3-dioxoisoindole-5-carboxamide
SMILESCCN1C(=O)c2ccc(C(=O)NCc3ccccc3)cc2C1=O
InChIInChI=1S/C18H16N2O3/c1-2-20-17(22)14-9-8-13(10-15(14)18(20)23)16(21)19-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,19,21)
InChIKeyDXRQRJYHQXRXFD-UHFFFAOYSA-N
XLogP2.23
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.23
H-Bond Donors ≤ 51
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-2-ethyl-1,3-dioxoisoindole-5-carboxamide?
The IUPAC name of N-benzyl-2-ethyl-1,3-dioxoisoindole-5-carboxamide (CID 976512) is N-benzyl-2-ethyl-1,3-dioxoisoindole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-ethyl-1,3-dioxoisoindole-5-carboxamide?
The canonical SMILES for N-benzyl-2-ethyl-1,3-dioxoisoindole-5-carboxamide is CCN1C(=O)c2ccc(C(=O)NCc3ccccc3)cc2C1=O.
What is the InChIKey of N-benzyl-2-ethyl-1,3-dioxoisoindole-5-carboxamide?
The InChIKey is DXRQRJYHQXRXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-2-20-17(22)14-9-8-13(10-15(14)18(20)23)16(21)19-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,19,21).
What are the key properties of N-benzyl-2-ethyl-1,3-dioxoisoindole-5-carboxamide?
N-benzyl-2-ethyl-1,3-dioxoisoindole-5-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-ethyl-1,3-dioxoisoindole-5-carboxamide is sourced from PubChem (CID 976512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).