2-(7-amino-3-oxo-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide;ethane

C18H29N3O3 — CID 144752994

IUPAC2-(7-amino-3-oxo-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide;ethane
SMILESCC.CC.CNC(=O)C(CCC=O)N1Cc2c(N)cccc2C1=O
InChIInChI=1S/C14H17N3O3.2C2H6/c1-16-13(19)12(6-3-7-18)17-8-10-9(14(17)20)4-2-5-11(10)15;2*1-2/h2,4-5,7,12H,3,6,8,15H2,1H3,(H,16,19);2*1-2H3
InChIKeyNPERHDNDLLILNQ-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.37
Rot. Bonds5

About 2-(7-amino-3-oxo-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide;ethane

2-(7-amino-3-oxo-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide;ethane (PubChem CID 144752994) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is 2-(7-amino-3-oxo-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide;ethane.

Molecular Properties

Compound Name2-(7-amino-3-oxo-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide;ethane
PubChem CID144752994
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Name2-(7-amino-3-oxo-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide;ethane
SMILESCC.CC.CNC(=O)C(CCC=O)N1Cc2c(N)cccc2C1=O
InChIInChI=1S/C14H17N3O3.2C2H6/c1-16-13(19)12(6-3-7-18)17-8-10-9(14(17)20)4-2-5-11(10)15;2*1-2/h2,4-5,7,12H,3,6,8,15H2,1H3,(H,16,19);2*1-2H3
InChIKeyNPERHDNDLLILNQ-UHFFFAOYSA-N
XLogP2.37
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[7-[(3-amino-2-fluorophenyl)methylamino]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 145070242
N-methyl-5-oxo-2-[3-oxo-7-(propanoylamino)-1H-isoindol-2-yl]pentanamide
CID 168945434
2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide
CID 146273965
2-[7-[(5-amino-2-fluorophenyl)methylamino]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 130389120
2-[7-[(2-fluoro-3-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 145069989
2-[7-[(2-fluoro-3-methoxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 130389143
2-[7-[[4-[(4-acetylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 130311984
N-methyl-5-oxo-2-[3-oxo-6-(3-oxopropyl)-1H-isoindol-2-yl]pentanamide
CID 163294263
N-methyl-2-[7-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
CID 170121129
fluoro 8-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1-oxo-3H-isoindol-4-yl]oct-7-ynoate
CID 156868866
2-[7-[4-(4-cyanopiperidin-1-yl)-4-oxobutoxy]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 166701320
2-[7-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 138526825

Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-3-oxo-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide;ethane?
The IUPAC name of 2-(7-amino-3-oxo-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide;ethane (CID 144752994) is 2-(7-amino-3-oxo-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide;ethane.
What is the SMILES notation for 2-(7-amino-3-oxo-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide;ethane?
The canonical SMILES for 2-(7-amino-3-oxo-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide;ethane is CC.CC.CNC(=O)C(CCC=O)N1Cc2c(N)cccc2C1=O.
What is the InChIKey of 2-(7-amino-3-oxo-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide;ethane?
The InChIKey is NPERHDNDLLILNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3.2C2H6/c1-16-13(19)12(6-3-7-18)17-8-10-9(14(17)20)4-2-5-11(10)15;2*1-2/h2,4-5,7,12H,3,6,8,15H2,1H3,(H,16,19);2*1-2H3.
What are the key properties of 2-(7-amino-3-oxo-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide;ethane?
2-(7-amino-3-oxo-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide;ethane has a molecular weight of 335.45 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-3-oxo-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide;ethane is sourced from PubChem (CID 144752994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).