N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide

C22H23N3O4 — CID 3571459

IUPACN-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
SMILESCC(C)CC(C(=O)NC(=O)NCc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H23N3O4/c1-14(2)12-18(25-20(27)16-10-6-7-11-17(16)21(25)28)19(26)24-22(29)23-13-15-8-4-3-5-9-15/h3-11,14,18H,12-13H2,1-2H3,(H2,23,24,26,29)
InChIKeyUANFAVUKWWTYKV-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.72
Rot. Bonds6

About N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide

N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide (PubChem CID 3571459) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
PubChem CID3571459
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
SMILESCC(C)CC(C(=O)NC(=O)NCc1ccccc1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C22H23N3O4/c1-14(2)12-18(25-20(27)16-10-6-7-11-17(16)21(25)28)19(26)24-22(29)23-13-15-8-4-3-5-9-15/h3-11,14,18H,12-13H2,1-2H3,(H2,23,24,26,29)
InChIKeyUANFAVUKWWTYKV-UHFFFAOYSA-N
XLogP2.72
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
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-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
The IUPAC name of N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide (CID 3571459) is N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide is CC(C)CC(C(=O)NC(=O)NCc1ccccc1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
The InChIKey is UANFAVUKWWTYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-14(2)12-18(25-20(27)16-10-6-7-11-17(16)21(25)28)19(26)24-22(29)23-13-15-8-4-3-5-9-15/h3-11,14,18H,12-13H2,1-2H3,(H2,23,24,26,29).
What are the key properties of N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide has a molecular weight of 393.44 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide is sourced from PubChem (CID 3571459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).