N-(2,6-dioxopiperidin-3-yl)-N'-(2-formyl-3-methylphenyl)-N-methylethanimidamide

C16H19N3O3 — CID 145381971

IUPACN-(2,6-dioxopiperidin-3-yl)-N'-(2-formyl-3-methylphenyl)-N-methylethanimidamide
SMILESC/C(=N\c1cccc(C)c1C=O)N(C)C1CCC(=O)NC1=O
InChIInChI=1S/C16H19N3O3/c1-10-5-4-6-13(12(10)9-20)17-11(2)19(3)14-7-8-15(21)18-16(14)22/h4-6,9,14H,7-8H2,1-3H3,(H,18,21,22)/b17-11+
InChIKeyQGKORJWOUWRXQK-GZTJUZNOSA-N
MW301.35 g/mol
LogP1.59
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)-N'-(2-formyl-3-methylphenyl)-N-methylethanimidamide

N-(2,6-dioxopiperidin-3-yl)-N'-(2-formyl-3-methylphenyl)-N-methylethanimidamide (PubChem CID 145381971) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-N'-(2-formyl-3-methylphenyl)-N-methylethanimidamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-N'-(2-formyl-3-methylphenyl)-N-methylethanimidamide
PubChem CID145381971
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-N'-(2-formyl-3-methylphenyl)-N-methylethanimidamide
SMILESC/C(=N\c1cccc(C)c1C=O)N(C)C1CCC(=O)NC1=O
InChIInChI=1S/C16H19N3O3/c1-10-5-4-6-13(12(10)9-20)17-11(2)19(3)14-7-8-15(21)18-16(14)22/h4-6,9,14H,7-8H2,1-3H3,(H,18,21,22)/b17-11+
InChIKeyQGKORJWOUWRXQK-GZTJUZNOSA-N
XLogP1.59
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-methylbenzaldehyde
CID 153393829
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2,3-dimethylbenzamide;ethane
CID 163374446
N-(4,8-dimethylnaphthalen-1-yl)-N-(2,6-dioxopiperidin-3-yl)formamide
CID 163259167
N-(2,6-dioxopiperidin-3-yl)-N-[(2-fluoro-6-methylphenyl)methyl]formamide
CID 171641343
2-[[(2,6-dioxopiperidin-3-yl)amino]methyl]-6-methylbenzaldehyde
CID 146411159
N-(2,6-dioxopiperidin-3-yl)-N-[(2-methylphenyl)methyl]formamide;ethane
CID 154670610
N-(2,6-dioxopiperidin-3-yl)-2-formyl-N-methyl-3-(5-oxopentylamino)benzamide;methanol
CID 154690124
N-(2,6-dioxopiperidin-3-yl)-2-formyl-4-hydroxy-N-methylbenzamide
CID 142367681
N-(2,6-dioxopiperidin-3-yl)-2-formyl-6-(5-hydroxypentyl)-N-methylbenzamide
CID 170109243
N-(2,6-dioxopiperidin-3-yl)-6-formyl-N-methyl-5-(propan-2-ylamino)cyclohexa-1,5-diene-1-carboxamide
CID 170247105
N-(2,6-dioxopiperidin-3-yl)-N-formyl-2-methyl-6-(2-oxoethoxy)benzamide
CID 145256134
N-(2,6-dioxopiperidin-3-yl)-N,6-dimethylpyridine-3-carboxamide
CID 138466898

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N'-(2-formyl-3-methylphenyl)-N-methylethanimidamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-N'-(2-formyl-3-methylphenyl)-N-methylethanimidamide (CID 145381971) is N-(2,6-dioxopiperidin-3-yl)-N'-(2-formyl-3-methylphenyl)-N-methylethanimidamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-N'-(2-formyl-3-methylphenyl)-N-methylethanimidamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-N'-(2-formyl-3-methylphenyl)-N-methylethanimidamide is C/C(=N\c1cccc(C)c1C=O)N(C)C1CCC(=O)NC1=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-N'-(2-formyl-3-methylphenyl)-N-methylethanimidamide?
The InChIKey is QGKORJWOUWRXQK-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-5-4-6-13(12(10)9-20)17-11(2)19(3)14-7-8-15(21)18-16(14)22/h4-6,9,14H,7-8H2,1-3H3,(H,18,21,22)/b17-11+.
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-N'-(2-formyl-3-methylphenyl)-N-methylethanimidamide?
N-(2,6-dioxopiperidin-3-yl)-N'-(2-formyl-3-methylphenyl)-N-methylethanimidamide has a molecular weight of 301.35 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 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-formyl-3-methylphenyl)-N-methylethanimidamide is sourced from PubChem (CID 145381971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).