N-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide

C25H26N2O3 — CID 46500538

IUPACN-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide
SMILESCC(=O)N(C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O)c1cc(C)cc(C)c1
InChIInChI=1S/C25H26N2O3/c1-16-13-17(2)15-19(14-16)27(18(3)28)23-22(26-11-7-4-8-12-26)24(29)20-9-5-6-10-21(20)25(23)30/h5-6,9-10,13-15H,4,7-8,11-12H2,1-3H3
InChIKeyOLTJKTWHMCXBKL-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.43
Rot. Bonds3

About N-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide

N-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide (PubChem CID 46500538) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide
PubChem CID46500538
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC NameN-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide
SMILESCC(=O)N(C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O)c1cc(C)cc(C)c1
InChIInChI=1S/C25H26N2O3/c1-16-13-17(2)15-19(14-16)27(18(3)28)23-22(26-11-7-4-8-12-26)24(29)20-9-5-6-10-21(20)25(23)30/h5-6,9-10,13-15H,4,7-8,11-12H2,1-3H3
InChIKeyOLTJKTWHMCXBKL-UHFFFAOYSA-N
XLogP4.43
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide (CID 46500538) is N-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide is CC(=O)N(C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O)c1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide?
The InChIKey is OLTJKTWHMCXBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-16-13-17(2)15-19(14-16)27(18(3)28)23-22(26-11-7-4-8-12-26)24(29)20-9-5-6-10-21(20)25(23)30/h5-6,9-10,13-15H,4,7-8,11-12H2,1-3H3.
What are the key properties of N-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide?
N-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide has a molecular weight of 402.49 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide is sourced from PubChem (CID 46500538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).