N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide

C23H24N2O3 — CID 51128181

IUPACN-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESCC1(C)CCC(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)c2ccccc21
InChIInChI=1S/C23H24N2O3/c1-23(2)13-12-19(17-8-3-4-9-18(17)23)24-22(28)15-6-5-7-16(14-15)25-20(26)10-11-21(25)27/h3-9,14,19H,10-13H2,1-2H3,(H,24,28)
InChIKeyDQCIHFQBIUSBGY-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.88
Rot. Bonds3

About N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide

N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide (PubChem CID 51128181) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
PubChem CID51128181
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC NameN-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
SMILESCC1(C)CCC(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)c2ccccc21
InChIInChI=1S/C23H24N2O3/c1-23(2)13-12-19(17-8-3-4-9-18(17)23)24-22(28)15-6-5-7-16(14-15)25-20(26)10-11-21(25)27/h3-9,14,19H,10-13H2,1-2H3,(H,24,28)
InChIKeyDQCIHFQBIUSBGY-UHFFFAOYSA-N
XLogP3.88
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.88
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

3-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)benzamide;hydrochloride
CID 119758396
N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)thiadiazole-5-carboxamide
CID 47472710
N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide
CID 138999584
4-(2,5-dioxopyrrolidin-1-yl)-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 2683079
N-[(1S)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-2-methoxypyridine-3-carboxamide
CID 52789544
1-(3-acetylphenyl)pyrrolidine-2,5-dione;ethane
CID 145439444
N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 18115302
5-[7-[[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]carbamoyl]-3-phenylquinoxalin-2-yl]pentanoic acid
CID 67985071
2-(cyclopropylmethylamino)-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)acetamide;hydrochloride
CID 119758390
N-(2,3-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 7733040
N-[(1R)-4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl]-5-sulfamoylfuran-2-carboxamide
CID 94821670
3-(2,5-dioxopyrrolidin-1-yl)-N-octylbenzamide
CID 125135751

Frequently Asked Questions

What is the IUPAC name of N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide (CID 51128181) is N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide is CC1(C)CCC(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)c2ccccc21.
What is the InChIKey of N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
The InChIKey is DQCIHFQBIUSBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-23(2)13-12-19(17-8-3-4-9-18(17)23)24-22(28)15-6-5-7-16(14-15)25-20(26)10-11-21(25)27/h3-9,14,19H,10-13H2,1-2H3,(H,24,28).
What are the key properties of N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide?
N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide has a molecular weight of 376.46 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-(2,5-dioxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 51128181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).