N-(4,8-dimethylnaphthalen-1-yl)-N-(2,6-dioxopiperidin-3-yl)formamide

C18H18N2O3 — CID 163259167

IUPACN-(4,8-dimethylnaphthalen-1-yl)-N-(2,6-dioxopiperidin-3-yl)formamide
SMILESCc1ccc(N(C=O)C2CCC(=O)NC2=O)c2c(C)cccc12
InChIInChI=1S/C18H18N2O3/c1-11-6-7-14(17-12(2)4-3-5-13(11)17)20(10-21)15-8-9-16(22)19-18(15)23/h3-7,10,15H,8-9H2,1-2H3,(H,19,22,23)
InChIKeyBUIMMFWVSWTFSW-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.22
Rot. Bonds3

About N-(4,8-dimethylnaphthalen-1-yl)-N-(2,6-dioxopiperidin-3-yl)formamide

N-(4,8-dimethylnaphthalen-1-yl)-N-(2,6-dioxopiperidin-3-yl)formamide (PubChem CID 163259167) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-(4,8-dimethylnaphthalen-1-yl)-N-(2,6-dioxopiperidin-3-yl)formamide.

Molecular Properties

Compound NameN-(4,8-dimethylnaphthalen-1-yl)-N-(2,6-dioxopiperidin-3-yl)formamide
PubChem CID163259167
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-(4,8-dimethylnaphthalen-1-yl)-N-(2,6-dioxopiperidin-3-yl)formamide
SMILESCc1ccc(N(C=O)C2CCC(=O)NC2=O)c2c(C)cccc12
InChIInChI=1S/C18H18N2O3/c1-11-6-7-14(17-12(2)4-3-5-13(11)17)20(10-21)15-8-9-16(22)19-18(15)23/h3-7,10,15H,8-9H2,1-2H3,(H,19,22,23)
InChIKeyBUIMMFWVSWTFSW-UHFFFAOYSA-N
XLogP2.22
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethoxy-4-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)formamide
CID 177010821
N-(2,6-dioxopiperidin-3-yl)-N-[4-[[2-fluoro-4-[hydroxy(oxan-4-yl)methyl]phenyl]methyl]-8-methylnaphthalen-1-yl]formamide
CID 177335249
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,3-dimethylbenzamide;ethane
CID 163374446
N-(2,6-dioxopiperidin-3-yl)-N-[(2-fluoro-6-methylphenyl)methyl]formamide
CID 171641343
N-[3-bromo-2-(dimethylamino)-4-fluorophenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
CID 170092695
3-[(E)-3-(5,8-dimethylnaphthalen-1-yl)-3-hydroxyprop-1-enyl]piperidine-2,6-dione
CID 174331198
N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;ethane
CID 154670610
2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-methylbenzaldehyde
CID 153393829
N-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
CID 176963217
3-[(1E)-3-(5,8-dimethylnaphthalen-1-yl)buta-1,3-dienyl]piperidine-2,6-dione
CID 174334542
N-(2,6-dioxopiperidin-3-yl)-N'-(2-formyl-3-methylphenyl)-N-methylethanimidamide
CID 145381971
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-(2-oxoethoxy)benzamide
CID 145256134

Frequently Asked Questions

What is the IUPAC name of N-(4,8-dimethylnaphthalen-1-yl)-N-(2,6-dioxopiperidin-3-yl)formamide?
The IUPAC name of N-(4,8-dimethylnaphthalen-1-yl)-N-(2,6-dioxopiperidin-3-yl)formamide (CID 163259167) is N-(4,8-dimethylnaphthalen-1-yl)-N-(2,6-dioxopiperidin-3-yl)formamide.
What is the SMILES notation for N-(4,8-dimethylnaphthalen-1-yl)-N-(2,6-dioxopiperidin-3-yl)formamide?
The canonical SMILES for N-(4,8-dimethylnaphthalen-1-yl)-N-(2,6-dioxopiperidin-3-yl)formamide is Cc1ccc(N(C=O)C2CCC(=O)NC2=O)c2c(C)cccc12.
What is the InChIKey of N-(4,8-dimethylnaphthalen-1-yl)-N-(2,6-dioxopiperidin-3-yl)formamide?
The InChIKey is BUIMMFWVSWTFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-11-6-7-14(17-12(2)4-3-5-13(11)17)20(10-21)15-8-9-16(22)19-18(15)23/h3-7,10,15H,8-9H2,1-2H3,(H,19,22,23).
What are the key properties of N-(4,8-dimethylnaphthalen-1-yl)-N-(2,6-dioxopiperidin-3-yl)formamide?
N-(4,8-dimethylnaphthalen-1-yl)-N-(2,6-dioxopiperidin-3-yl)formamide has a molecular weight of 310.35 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,8-dimethylnaphthalen-1-yl)-N-(2,6-dioxopiperidin-3-yl)formamide is sourced from PubChem (CID 163259167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).