N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;ethane

C18H28N2O3 — CID 154670610

IUPACN-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;ethane
SMILESCC.CC.Cc1ccccc1CN(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C14H16N2O3.2C2H6/c1-10-4-2-3-5-11(10)8-16(9-17)12-6-7-13(18)15-14(12)19;2*1-2/h2-5,9,12H,6-8H2,1H3,(H,15,18,19);2*1-2H3
InChIKeyFTJKKGDFFYGUNL-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.81
Rot. Bonds4

About N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;ethane

N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;ethane (PubChem CID 154670610) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;ethane.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;ethane
PubChem CID154670610
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;ethane
SMILESCC.CC.Cc1ccccc1CN(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C14H16N2O3.2C2H6/c1-10-4-2-3-5-11(10)8-16(9-17)12-6-7-13(18)15-14(12)19;2*1-2/h2-5,9,12H,6-8H2,1H3,(H,15,18,19);2*1-2H3
InChIKeyFTJKKGDFFYGUNL-UHFFFAOYSA-N
XLogP2.81
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.81
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-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;N-methylpropanamide
CID 168945657
N-[(5-bromo-2-methylphenyl)methyl]-N-(2,6-dioxopiperidin-3-yl)formamide
CID 134579839
N-(2,6-dioxopiperidin-3-yl)-N-[(2-fluoro-6-methylphenyl)methyl]formamide
CID 171641343
N-(2,6-dioxopiperidin-3-yl)-N-[(2-methyl-5-nitrophenyl)methyl]formamide
CID 166695051
N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-6-(2-oxoethoxy)phenyl]methyl]formamide
CID 167470181
[4-[[(2,6-dioxopiperidin-3-yl)-formylamino]methyl]-3-methylphenyl]methyl N-[(2-methoxyphenyl)methyl]carbamate
CID 177223376
N-(2,6-dioxopiperidin-3-yl)-N-(2-methoxy-2-phenylethyl)formamide
CID 167091335
2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-methylbenzaldehyde
CID 153393829
N-[(2-methylphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide
CID 89258389
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,3-dimethylbenzamide;ethane
CID 163374446
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-(2,6-dioxopiperidin-3-yl)-N-[(3-methyl-6-piperazin-1-yl-2-pyridinyl)methyl]formamide
CID 168992484

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;ethane?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;ethane (CID 154670610) is N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;ethane.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;ethane?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;ethane is CC.CC.Cc1ccccc1CN(C=O)C1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;ethane?
The InChIKey is FTJKKGDFFYGUNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3.2C2H6/c1-10-4-2-3-5-11(10)8-16(9-17)12-6-7-13(18)15-14(12)19;2*1-2/h2-5,9,12H,6-8H2,1H3,(H,15,18,19);2*1-2H3.
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;ethane?
N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;ethane has a molecular weight of 320.43 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;ethane is sourced from PubChem (CID 154670610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).