N-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]phenyl]hexanamide

C22H22N2O4 — CID 7960039

IUPACN-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(C(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H22N2O4/c1-2-3-4-9-20(26)23-16-12-10-15(11-13-16)19(25)14-24-21(27)17-7-5-6-8-18(17)22(24)28/h5-8,10-13H,2-4,9,14H2,1H3,(H,23,26)
InChIKeyRVMIOYSSJJEJJU-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.68
Rot. Bonds8

About N-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]phenyl]hexanamide

N-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]phenyl]hexanamide (PubChem CID 7960039) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]phenyl]hexanamide.

Molecular Properties

Compound NameN-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]phenyl]hexanamide
PubChem CID7960039
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC NameN-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(C(=O)CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H22N2O4/c1-2-3-4-9-20(26)23-16-12-10-15(11-13-16)19(25)14-24-21(27)17-7-5-6-8-18(17)22(24)28/h5-8,10-13H,2-4,9,14H2,1H3,(H,23,26)
InChIKeyRVMIOYSSJJEJJU-UHFFFAOYSA-N
XLogP3.68
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]phenyl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetyl]phenyl]hexanamide
CID 7824079
2-(1,3-dioxoisoindol-2-yl)-N-(4-pentylphenyl)acetamide
CID 26776950
N-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2303121
pentyl 4-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]benzoate
CID 19169158
N-(4-butylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2204148
2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide
CID 23824241
2-[2-(4-methylphenyl)-2-oxoethyl]isoindole-1,3-dione
CID 11987559
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 46804911
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
4-(dodecanoylamino)-N-phenylbenzamide
CID 5109500
N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7658806
N-phenylpentacosanamide
CID 19025260

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]phenyl]hexanamide?
The IUPAC name of N-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]phenyl]hexanamide (CID 7960039) is N-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]phenyl]hexanamide.
What is the SMILES notation for N-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]phenyl]hexanamide?
The canonical SMILES for N-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]phenyl]hexanamide is CCCCCC(=O)Nc1ccc(C(=O)CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]phenyl]hexanamide?
The InChIKey is RVMIOYSSJJEJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c1-2-3-4-9-20(26)23-16-12-10-15(11-13-16)19(25)14-24-21(27)17-7-5-6-8-18(17)22(24)28/h5-8,10-13H,2-4,9,14H2,1H3,(H,23,26).
What are the key properties of N-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]phenyl]hexanamide?
N-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]phenyl]hexanamide has a molecular weight of 378.43 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]phenyl]hexanamide is sourced from PubChem (CID 7960039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).