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

C18H25N3O4 — CID 168945657

IUPACN-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;N-methylpropanamide
SMILESCCC(=O)NC.Cc1ccccc1CN(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C14H16N2O3.C4H9NO/c1-10-4-2-3-5-11(10)8-16(9-17)12-6-7-13(18)15-14(12)19;1-3-4(6)5-2/h2-5,9,12H,6-8H2,1H3,(H,15,18,19);3H2,1-2H3,(H,5,6)
InChIKeyLNBIERBXBMCKPB-UHFFFAOYSA-N
MW347.42 g/mol
LogP0.90
Rot. Bonds5

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

N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;N-methylpropanamide (PubChem CID 168945657) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;N-methylpropanamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;N-methylpropanamide
PubChem CID168945657
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;N-methylpropanamide
SMILESCCC(=O)NC.Cc1ccccc1CN(C=O)C1CCC(=O)NC1=O
InChIInChI=1S/C14H16N2O3.C4H9NO/c1-10-4-2-3-5-11(10)8-16(9-17)12-6-7-13(18)15-14(12)19;1-3-4(6)5-2/h2-5,9,12H,6-8H2,1H3,(H,15,18,19);3H2,1-2H3,(H,5,6)
InChIKeyLNBIERBXBMCKPB-UHFFFAOYSA-N
XLogP0.90
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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;ethane
CID 154670610
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
[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-methyl-6-(2-oxoethoxy)phenyl]methyl]formamide
CID 167470181
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-formyl-2,3-dimethylbenzamide;ethane
CID 163374446
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-methyl-2-[2-methyl-N-[(2-methylphenyl)methyl]anilino]acetamide
CID 47092405
N-[(2-methylphenyl)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide
CID 89258389
N-(2,6-dioxopiperidin-3-yl)-N-[[2-methyl-5-[4-[[1-[[3-(methylaminomethyl)phenyl]methyl]piperidin-4-yl]methyl]piperazin-1-yl]phenyl]methyl]formamide
CID 177202270

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;N-methylpropanamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;N-methylpropanamide (CID 168945657) is N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;N-methylpropanamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;N-methylpropanamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;N-methylpropanamide is CCC(=O)NC.Cc1ccccc1CN(C=O)C1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;N-methylpropanamide?
The InChIKey is LNBIERBXBMCKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3.C4H9NO/c1-10-4-2-3-5-11(10)8-16(9-17)12-6-7-13(18)15-14(12)19;1-3-4(6)5-2/h2-5,9,12H,6-8H2,1H3,(H,15,18,19);3H2,1-2H3,(H,5,6).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;N-methylpropanamide?
N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;N-methylpropanamide has a molecular weight of 347.42 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;N-methylpropanamide is sourced from PubChem (CID 168945657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).