N-(2,6-dioxopiperidin-3-yl)-N-[4-(3-heptan-4-yloxypropyl)-2-methylphenyl]butanamide

C26H40N2O4 — CID 176968166

IUPACN-(2,6-dioxopiperidin-3-yl)-N-[4-(3-heptan-4-yloxypropyl)-2-methylphenyl]butanamide
SMILESCCCC(=O)N(c1ccc(CCCOC(CCC)CCC)cc1C)C1CCC(=O)NC1=O
InChIInChI=1S/C26H40N2O4/c1-5-9-21(10-6-2)32-17-8-12-20-13-14-22(19(4)18-20)28(25(30)11-7-3)23-15-16-24(29)27-26(23)31/h13-14,18,21,23H,5-12,15-17H2,1-4H3,(H,27,29,31)
InChIKeyZIANHWANWBKHIS-UHFFFAOYSA-N
MW444.62 g/mol
LogP4.85
Rot. Bonds13

About N-(2,6-dioxopiperidin-3-yl)-N-[4-(3-heptan-4-yloxypropyl)-2-methylphenyl]butanamide

N-(2,6-dioxopiperidin-3-yl)-N-[4-(3-heptan-4-yloxypropyl)-2-methylphenyl]butanamide (PubChem CID 176968166) has the molecular formula C26H40N2O4 and a molecular weight of 444.62 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N-[4-(3-heptan-4-yloxypropyl)-2-methylphenyl]butanamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-N-[4-(3-heptan-4-yloxypropyl)-2-methylphenyl]butanamide
PubChem CID176968166
Molecular FormulaC26H40N2O4
Molecular Weight444.62 g/mol
Exact Mass444.30
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-N-[4-(3-heptan-4-yloxypropyl)-2-methylphenyl]butanamide
SMILESCCCC(=O)N(c1ccc(CCCOC(CCC)CCC)cc1C)C1CCC(=O)NC1=O
InChIInChI=1S/C26H40N2O4/c1-5-9-21(10-6-2)32-17-8-12-20-13-14-22(19(4)18-20)28(25(30)11-7-3)23-15-16-24(29)27-26(23)31/h13-14,18,21,23H,5-12,15-17H2,1-4H3,(H,27,29,31)
InChIKeyZIANHWANWBKHIS-UHFFFAOYSA-N
XLogP4.85
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.62
LogP ≤ 54.85
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'}

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Related Compounds

N-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide
CID 176968593
N-(4-bromo-2-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)butanamide;ethane
CID 176968592
N-[4-(3-butyl-3-ethylazetidin-1-yl)-2-methylphenyl]-N-(2,6-dioxopiperidin-3-yl)acetamide
CID 176968678
1-[4-(3-bromopropyl)phenyl]-1-(2,6-dioxopiperidin-3-yl)-3-methylurea
CID 156858771
3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione
CID 176968224
3-[2-[2-[3-[3-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-4-formylphenyl]propoxy]ethoxy]ethoxy]propanoic acid
CID 167469905
(Z)-N-(2,6-dioxopiperidin-3-yl)-5-methoxy-2-methyl-N-(2-methyl-4-piperidin-4-ylphenyl)pent-2-enamide
CID 167470652
N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-(6-hydroxyhexyl)phenyl]-N-methylformamide;ethane
CID 156860973
3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione;butanal;ethane
CID 176968223
N-(2,5-dioxopyrrolidin-3-yl)-N-ethyl-3-(1H-indol-5-yl)propanamide
CID 84598863
N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-ethylphenyl]-N-methylformamide
CID 156836959
N-(2,3-dimethoxy-4-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)formamide
CID 177010821

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[4-(3-heptan-4-yloxypropyl)-2-methylphenyl]butanamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[4-(3-heptan-4-yloxypropyl)-2-methylphenyl]butanamide (CID 176968166) is N-(2,6-dioxopiperidin-3-yl)-N-[4-(3-heptan-4-yloxypropyl)-2-methylphenyl]butanamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N-[4-(3-heptan-4-yloxypropyl)-2-methylphenyl]butanamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N-[4-(3-heptan-4-yloxypropyl)-2-methylphenyl]butanamide is CCCC(=O)N(c1ccc(CCCOC(CCC)CCC)cc1C)C1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N-[4-(3-heptan-4-yloxypropyl)-2-methylphenyl]butanamide?
The InChIKey is ZIANHWANWBKHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H40N2O4/c1-5-9-21(10-6-2)32-17-8-12-20-13-14-22(19(4)18-20)28(25(30)11-7-3)23-15-16-24(29)27-26(23)31/h13-14,18,21,23H,5-12,15-17H2,1-4H3,(H,27,29,31).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N-[4-(3-heptan-4-yloxypropyl)-2-methylphenyl]butanamide?
N-(2,6-dioxopiperidin-3-yl)-N-[4-(3-heptan-4-yloxypropyl)-2-methylphenyl]butanamide has a molecular weight of 444.62 g/mol, XLogP of 4.85, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-N-[4-(3-heptan-4-yloxypropyl)-2-methylphenyl]butanamide is sourced from PubChem (CID 176968166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).