N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-ethylphenyl]-N-methylformamide

C16H21N3O3 — CID 156836959

IUPACN-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-ethylphenyl]-N-methylformamide
SMILESCCc1ccc(N(C)C2CCC(=O)NC2=O)c(N(C)C=O)c1
InChIInChI=1S/C16H21N3O3/c1-4-11-5-6-12(14(9-11)18(2)10-20)19(3)13-7-8-15(21)17-16(13)22/h5-6,9-10,13H,4,7-8H2,1-3H3,(H,17,21,22)
InChIKeyRBJOKGXELOOEOT-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.08
Rot. Bonds5

About N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-ethylphenyl]-N-methylformamide

N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-ethylphenyl]-N-methylformamide (PubChem CID 156836959) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-ethylphenyl]-N-methylformamide.

Molecular Properties

Compound NameN-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-ethylphenyl]-N-methylformamide
PubChem CID156836959
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-ethylphenyl]-N-methylformamide
SMILESCCc1ccc(N(C)C2CCC(=O)NC2=O)c(N(C)C=O)c1
InChIInChI=1S/C16H21N3O3/c1-4-11-5-6-12(14(9-11)18(2)10-20)19(3)13-7-8-15(21)17-16(13)22/h5-6,9-10,13H,4,7-8H2,1-3H3,(H,17,21,22)
InChIKeyRBJOKGXELOOEOT-UHFFFAOYSA-N
XLogP1.08
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
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-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-(6-hydroxyhexyl)phenyl]-N-methylformamide;ethane
CID 156860973
3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione
CID 176968224
3-[4-(2-aminoethoxy)-N,2-dimethylanilino]piperidine-2,6-dione;butanal;ethane
CID 176968223
3-(N,2-dimethyl-4-piperidin-4-ylanilino)piperidine-2,6-dione
CID 167470469
N-[5-ethyl-2-(methylamino)phenyl]-N-methylformamide
CID 155460422
3-[1,3-benzodioxol-5-ylmethyl(methyl)amino]piperidine-2,6-dione
CID 130431885
2-[1-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]phenyl]piperidin-4-yl]acetaldehyde
CID 167470348
N-[3-[(2,2-dimethylpiperidin-1-yl)sulfinylmethyl]phenyl]-2-[1-[4-[(2,6-dioxopiperidin-3-yl)-methylamino]-3-[formyl(methyl)amino]phenyl]-4-hydroxypiperidin-4-yl]acetamide
CID 167470598
N-[3-bromo-2-(dimethylamino)-4-fluorophenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
CID 170092695
N-[(5-bromo-2-methylphenyl)methyl]-N-(2,6-dioxopiperidin-3-yl)formamide
CID 134579839
N-(2,3-dimethoxy-4-methylphenyl)-N-(2,6-dioxopiperidin-3-yl)formamide
CID 177010821
N-[2-(dimethylamino)-4-(4-hydroxypiperidin-1-yl)phenyl]-N-(2,6-dioxopiperidin-3-yl)formamide
CID 176963217

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-ethylphenyl]-N-methylformamide?
The IUPAC name of N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-ethylphenyl]-N-methylformamide (CID 156836959) is N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-ethylphenyl]-N-methylformamide.
What is the SMILES notation for N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-ethylphenyl]-N-methylformamide?
The canonical SMILES for N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-ethylphenyl]-N-methylformamide is CCc1ccc(N(C)C2CCC(=O)NC2=O)c(N(C)C=O)c1.
What is the InChIKey of N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-ethylphenyl]-N-methylformamide?
The InChIKey is RBJOKGXELOOEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-11-5-6-12(14(9-11)18(2)10-20)19(3)13-7-8-15(21)17-16(13)22/h5-6,9-10,13H,4,7-8H2,1-3H3,(H,17,21,22).
What are the key properties of N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-ethylphenyl]-N-methylformamide?
N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-ethylphenyl]-N-methylformamide has a molecular weight of 303.36 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,6-dioxopiperidin-3-yl)-methylamino]-5-ethylphenyl]-N-methylformamide is sourced from PubChem (CID 156836959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).