N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-(2-oxoethoxy)phenyl]methyl]formamide

C16H18N2O5 — CID 167470181

IUPACN-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-(2-oxoethoxy)phenyl]methyl]formamide
SMILESCc1cccc(OCC=O)c1CN(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C16H18N2O5/c1-11-3-2-4-14(23-8-7-19)12(11)9-18(10-20)13-5-6-15(21)17-16(13)22/h2-4,7,10,13H,5-6,8-9H2,1H3,(H,17,21,22)
InChIKeyWPHFVARHOOUHTR-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.34
Rot. Bonds7

About N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-(2-oxoethoxy)phenyl]methyl]formamide

N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-(2-oxoethoxy)phenyl]methyl]formamide (PubChem CID 167470181) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-(2-oxoethoxy)phenyl]methyl]formamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-(2-oxoethoxy)phenyl]methyl]formamide
PubChem CID167470181
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-(2-oxoethoxy)phenyl]methyl]formamide
SMILESCc1cccc(OCC=O)c1CN(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C16H18N2O5/c1-11-3-2-4-14(23-8-7-19)12(11)9-18(10-20)13-5-6-15(21)17-16(13)22/h2-4,7,10,13H,5-6,8-9H2,1H3,(H,17,21,22)
InChIKeyWPHFVARHOOUHTR-UHFFFAOYSA-N
XLogP0.34
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2,6-dioxopiperidin-3-yl)-N-[(2-fluoro-6-methylphenyl)methyl]formamide
CID 171641343
N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[[2-(methylamino)ethyl-(2-oxoethyl)amino]methyl]phenyl]methoxy]phenyl]methyl]formamide
CID 129236702
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-(2-oxoethoxy)benzamide
CID 145256134
N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-[[4-[(4-piperidin-1-ylpiperidin-1-yl)methyl]phenyl]methoxy]phenyl]methyl]formamide
CID 130312138
N-(2,6-dioxopiperidin-3-yl)-N-[[2-[[2-fluoro-3-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methoxy]-6-methylphenyl]methyl]formamide
CID 166797635
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-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-propan-2-ylbenzamide;N-(2,6-dioxopiperidin-3-yl)-N-[(2-methyl-6-propan-2-ylphenyl)methyl]formamide
CID 162438893
N-[(5-bromo-2-methylphenyl)methyl]-N-(2,6-dioxopiperidin-3-yl)formamide
CID 134579839
N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;N-methylpropanamide
CID 168945657
N-(2,6-dioxopiperidin-3-yl)-N-[(2-methyl-5-nitrophenyl)methyl]formamide
CID 166695051
N-(2,6-dioxopiperidin-3-yl)-N-(2-methoxy-2-phenylethyl)formamide
CID 167091335

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-(2-oxoethoxy)phenyl]methyl]formamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-(2-oxoethoxy)phenyl]methyl]formamide (CID 167470181) is N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-(2-oxoethoxy)phenyl]methyl]formamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-(2-oxoethoxy)phenyl]methyl]formamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-(2-oxoethoxy)phenyl]methyl]formamide is Cc1cccc(OCC=O)c1CN(C=O)C1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-(2-oxoethoxy)phenyl]methyl]formamide?
The InChIKey is WPHFVARHOOUHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-11-3-2-4-14(23-8-7-19)12(11)9-18(10-20)13-5-6-15(21)17-16(13)22/h2-4,7,10,13H,5-6,8-9H2,1H3,(H,17,21,22).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-(2-oxoethoxy)phenyl]methyl]formamide?
N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-(2-oxoethoxy)phenyl]methyl]formamide has a molecular weight of 318.33 g/mol, XLogP of 0.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-(2-oxoethoxy)phenyl]methyl]formamide is sourced from PubChem (CID 167470181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).