N-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide

C22H24N2O3 — CID 3354455

IUPACN-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
SMILESCc1ccc(C)c(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H24N2O3/c1-15-11-12-16(2)19(14-15)23-20(25)10-4-3-7-13-24-21(26)17-8-5-6-9-18(17)22(24)27/h5-6,8-9,11-12,14H,3-4,7,10,13H2,1-2H3,(H,23,25)
InChIKeyIDHQZODPSMPAAI-UHFFFAOYSA-N
MW364.45 g/mol
LogP4.10
Rot. Bonds7

About N-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide

N-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide (PubChem CID 3354455) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
PubChem CID3354455
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC NameN-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide
SMILESCc1ccc(C)c(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C22H24N2O3/c1-15-11-12-16(2)19(14-15)23-20(25)10-4-3-7-13-24-21(26)17-8-5-6-9-18(17)22(24)27/h5-6,8-9,11-12,14H,3-4,7,10,13H2,1-2H3,(H,23,25)
InChIKeyIDHQZODPSMPAAI-UHFFFAOYSA-N
XLogP4.10
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(5-acetyl-2-methylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 110604119
3-[3-(1,3-dioxoisoindol-2-yl)propanoylamino]-4-methylbenzoic acid
CID 1250549
N-(2-aminophenyl)-5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 58982081
N-(2-chloro-4-methylphenyl)-4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanamide
CID 42991928
N-(3,4-dimethylphenyl)-4-(5-methyl-1,3-dioxoisoindol-2-yl)butanamide
CID 27167782
11-(1,3-dioxoisoindol-2-yl)-N-(2-ethoxyphenyl)undecanamide
CID 3362630
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(2,4-dimethylphenyl)butanamide
CID 30426290
N-[4-(2,5-dimethylphenyl)-1,3-thiazol-2-yl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 4791355
2-(3-butyl-2,4,5-trioxoimidazolidin-1-yl)-N-(2,5-dimethylphenyl)acetamide
CID 4666685
6-(1,3-dioxoisoindol-2-yl)-N-(2-oxo-1H-pyridin-3-yl)hexanamide
CID 4018238
3-(1,3-dioxoisoindol-2-yl)-N-(2-methyl-5-piperidin-1-ylphenyl)propanamide
CID 110362187
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 4-(1,3-dioxoisoindol-2-yl)butanoate
CID 9363349

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide?
The IUPAC name of N-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide (CID 3354455) is N-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide is Cc1ccc(C)c(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide?
The InChIKey is IDHQZODPSMPAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-15-11-12-16(2)19(14-15)23-20(25)10-4-3-7-13-24-21(26)17-8-5-6-9-18(17)22(24)27/h5-6,8-9,11-12,14H,3-4,7,10,13H2,1-2H3,(H,23,25).
What are the key properties of N-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide?
N-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide has a molecular weight of 364.45 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-6-(1,3-dioxoisoindol-2-yl)hexanamide is sourced from PubChem (CID 3354455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).