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

C24H24N2O3 — CID 46500539

IUPACN-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)acetamide
SMILESCC(=O)N(C1=C(N2CCCC2)C(=O)c2ccccc2C1=O)c1cc(C)cc(C)c1
InChIInChI=1S/C24H24N2O3/c1-15-12-16(2)14-18(13-15)26(17(3)27)22-21(25-10-6-7-11-25)23(28)19-8-4-5-9-20(19)24(22)29/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3
InChIKeyXWSLKXQCYWPYKL-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.04
Rot. Bonds3

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

N-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)acetamide (PubChem CID 46500539) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)acetamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)acetamide
PubChem CID46500539
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)acetamide
SMILESCC(=O)N(C1=C(N2CCCC2)C(=O)c2ccccc2C1=O)c1cc(C)cc(C)c1
InChIInChI=1S/C24H24N2O3/c1-15-12-16(2)14-18(13-15)26(17(3)27)22-21(25-10-6-7-11-25)23(28)19-8-4-5-9-20(19)24(22)29/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3
InChIKeyXWSLKXQCYWPYKL-UHFFFAOYSA-N
XLogP4.04
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.04
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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Related Compounds

N-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)acetamide
CID 46500538
N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)-N-(3-methoxyphenyl)acetamide
CID 2903159
N-(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)-N-(3-methoxyphenyl)acetamide
CID 2903286
N-(3-chlorophenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide
CID 2903171
N-[3-(azepan-1-yl)-1,4-dioxonaphthalen-2-yl]-N-cyclohexylacetamide
CID 3456979
2-(N-methylanilino)-3-pyrrolidin-1-ylnaphthalene-1,4-dione
CID 630410
2-(N-ethylanilino)-3-pyrrolidin-1-ylnaphthalene-1,4-dione
CID 2847034
N-(4-heptylphenyl)-N-(3-morpholin-4-yl-1,4-dioxonaphthalen-2-yl)acetamide
CID 46499618
N-[1,4-dioxo-3-(propan-2-ylamino)naphthalen-2-yl]-N-(4-methylphenyl)acetamide
CID 171981300
2-(3-methylphenyl)sulfanyl-3-pyrrolidin-1-ylnaphthalene-1,4-dione
CID 163213370
methane;2-(4-methylanilino)-3-pyrrolidin-1-ylnaphthalene-1,4-dione
CID 159705780
N-[4-[(1,4-dioxo-3-piperidin-1-ylnaphthalen-2-yl)sulfamoyl]phenyl]acetamide
CID 3594745

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)acetamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)acetamide (CID 46500539) is N-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)acetamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)acetamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)acetamide is CC(=O)N(C1=C(N2CCCC2)C(=O)c2ccccc2C1=O)c1cc(C)cc(C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)acetamide?
The InChIKey is XWSLKXQCYWPYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-15-12-16(2)14-18(13-15)26(17(3)27)22-21(25-10-6-7-11-25)23(28)19-8-4-5-9-20(19)24(22)29/h4-5,8-9,12-14H,6-7,10-11H2,1-3H3.
What are the key properties of N-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)acetamide?
N-(3,5-dimethylphenyl)-N-(1,4-dioxo-3-pyrrolidin-1-ylnaphthalen-2-yl)acetamide has a molecular weight of 388.47 g/mol, XLogP of 4.04, 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-pyrrolidin-1-ylnaphthalen-2-yl)acetamide is sourced from PubChem (CID 46500539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).