N-(4-butylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide

C22H24N2O3 — CID 2204148

IUPACN-(4-butylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESCCCCc1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H24N2O3/c1-2-3-7-16-11-13-17(14-12-16)23-20(25)10-6-15-24-21(26)18-8-4-5-9-19(18)22(24)27/h4-5,8-9,11-14H,2-3,6-7,10,15H2,1H3,(H,23,25)
InChIKeyAIEVHPFFEQHEAO-UHFFFAOYSA-N
MW364.44 g/mol
LogP4.04
Rot. Bonds8

About N-(4-butylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide

N-(4-butylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide (PubChem CID 2204148) has the molecular formula C22H24N2O3 and a molecular weight of 364.44 g/mol. Its IUPAC name is N-(4-butylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
PubChem CID2204148
Molecular FormulaC22H24N2O3
Molecular Weight364.44 g/mol
Exact Mass364.18
IUPAC NameN-(4-butylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
SMILESCCCCc1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C22H24N2O3/c1-2-3-7-16-11-13-17(14-12-16)23-20(25)10-6-15-24-21(26)18-8-4-5-9-19(18)22(24)27/h4-5,8-9,11-14H,2-3,6-7,10,15H2,1H3,(H,23,25)
InChIKeyAIEVHPFFEQHEAO-UHFFFAOYSA-N
XLogP4.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-(4-pentylphenyl)acetamide
CID 26776950
N-(4-acetylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2303121
N-(4-anilinophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 2953922
N-(4-butylphenyl)-6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanamide
CID 19170154
N-(4-butylphenyl)-4-phenylbutanamide
CID 7313944
N-(4-butylphenyl)-4-(3-methyl-2,5-dioxoimidazolidin-1-yl)butanamide
CID 78808991
N-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]phenyl]hexanamide
CID 7960039
4-(1,3-dioxoisoindol-2-yl)-N-[4-(2-methoxyphenoxy)phenyl]butanamide
CID 34168388
3-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide;ethane
CID 90892974
N-(4-butylphenyl)-5-oxo-5-phenylpentanamide
CID 108796131
N-(3,5-difluorophenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 34169021
4-(1,3-dioxoisoindol-2-yl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanamide
CID 1119719

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
The IUPAC name of N-(4-butylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide (CID 2204148) is N-(4-butylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide.
What is the SMILES notation for N-(4-butylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
The canonical SMILES for N-(4-butylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide is CCCCc1ccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of N-(4-butylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
The InChIKey is AIEVHPFFEQHEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c1-2-3-7-16-11-13-17(14-12-16)23-20(25)10-6-15-24-21(26)18-8-4-5-9-19(18)22(24)27/h4-5,8-9,11-14H,2-3,6-7,10,15H2,1H3,(H,23,25).
What are the key properties of N-(4-butylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide?
N-(4-butylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide has a molecular weight of 364.44 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-4-(1,3-dioxoisoindol-2-yl)butanamide is sourced from PubChem (CID 2204148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).