N-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-5-oxohexanamide

C20H26N2O4 — CID 166212876

IUPACN-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-5-oxohexanamide
SMILESCC(=O)C(C)(C)CCC(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1
InChIInChI=1S/C20H26N2O4/c1-14(23)20(2,3)12-11-17(24)21-16-9-7-15(8-10-16)13-22-18(25)5-4-6-19(22)26/h7-10H,4-6,11-13H2,1-3H3,(H,21,24)
InChIKeyWGIOBCHANFBZCP-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.06
Rot. Bonds7

About N-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-5-oxohexanamide

N-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-5-oxohexanamide (PubChem CID 166212876) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-5-oxohexanamide.

Molecular Properties

Compound NameN-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-5-oxohexanamide
PubChem CID166212876
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC NameN-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-5-oxohexanamide
SMILESCC(=O)C(C)(C)CCC(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1
InChIInChI=1S/C20H26N2O4/c1-14(23)20(2,3)12-11-17(24)21-16-9-7-15(8-10-16)13-22-18(25)5-4-6-19(22)26/h7-10H,4-6,11-13H2,1-3H3,(H,21,24)
InChIKeyWGIOBCHANFBZCP-UHFFFAOYSA-N
XLogP3.06
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-tert-butylphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide
CID 46568652
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(2-fluorophenyl)propanamide
CID 35343898
3-(3,5-dimethoxyphenyl)-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide
CID 35344493
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-methylbut-2-enamide
CID 30804626
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-methylpropanamide
CID 35341089
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)phenyl]propanamide
CID 64793189
N-(4-aminophenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide
CID 43447501
N-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 17466104
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-(2-methoxyethylamino)acetamide
CID 119715536
4-[(2,7-dioxoazepan-1-yl)methyl]benzoic acid
CID 43446723
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]propanamide
CID 24684324
1-[(4-ethylphenyl)methyl]piperidine-2,6-dione
CID 82128665

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-5-oxohexanamide?
The IUPAC name of N-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-5-oxohexanamide (CID 166212876) is N-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-5-oxohexanamide.
What is the SMILES notation for N-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-5-oxohexanamide?
The canonical SMILES for N-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-5-oxohexanamide is CC(=O)C(C)(C)CCC(=O)Nc1ccc(CN2C(=O)CCCC2=O)cc1.
What is the InChIKey of N-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-5-oxohexanamide?
The InChIKey is WGIOBCHANFBZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-14(23)20(2,3)12-11-17(24)21-16-9-7-15(8-10-16)13-22-18(25)5-4-6-19(22)26/h7-10H,4-6,11-13H2,1-3H3,(H,21,24).
What are the key properties of N-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-5-oxohexanamide?
N-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-5-oxohexanamide has a molecular weight of 358.44 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,6-dioxopiperidin-1-yl)methyl]phenyl]-4,4-dimethyl-5-oxohexanamide is sourced from PubChem (CID 166212876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).