2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide

C14H17N3O5 — CID 146273965

IUPAC2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)N1C(=O)c2cccc(N)c2C1(O)O
InChIInChI=1S/C14H17N3O5/c1-16-12(19)10(6-3-7-18)17-13(20)8-4-2-5-9(15)11(8)14(17,21)22/h2,4-5,7,10,21-22H,3,6,15H2,1H3,(H,16,19)
InChIKeyKHOVBKYHYKECLX-UHFFFAOYSA-N
MW307.31 g/mol
LogP-1.09
Rot. Bonds5

About 2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide

2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide (PubChem CID 146273965) has the molecular formula C14H17N3O5 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide
PubChem CID146273965
Molecular FormulaC14H17N3O5
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)N1C(=O)c2cccc(N)c2C1(O)O
InChIInChI=1S/C14H17N3O5/c1-16-12(19)10(6-3-7-18)17-13(20)8-4-2-5-9(15)11(8)14(17,21)22/h2,4-5,7,10,21-22H,3,6,15H2,1H3,(H,16,19)
InChIKeyKHOVBKYHYKECLX-UHFFFAOYSA-N
XLogP-1.09
TPSA132.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(7-amino-3-oxo-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide;ethane
CID 144752994
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
8-[2-[1-(methylamino)-1,5-dioxopentan-2-yl]-1,3-dioxoisoindol-4-yl]oxyoctanoic acid;2-methylpropane
CID 171566867
2-[7-[(5-amino-2-fluorophenyl)methylamino]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 130389120
2-[7-[[4-[(4,4-dimethylpiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 138526825
2-[7-[(2-fluoro-3-hydroxyphenyl)methylamino]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 145069989
ethane;2-[7-[[4-[(2,2,3,3,5,5,6-heptahydroxy-6-methylmorpholin-4-yl)methyl]phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 145282147
2-[1,3-dioxo-4-[2-(2-propoxyethoxy)ethylamino]isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 155484544
N-methyl-5-oxo-2-[3-oxo-6-(3-oxopropyl)-1H-isoindol-2-yl]pentanamide
CID 163294263
2-[5-(aminomethyl)-4-fluoro-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 176717984
2-[4-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethoxy]-1,3-dioxoisoindol-2-yl]-N-methyl-5-oxopentanamide
CID 178004588

Frequently Asked Questions

What is the IUPAC name of 2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide?
The IUPAC name of 2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide (CID 146273965) is 2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide.
What is the SMILES notation for 2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide?
The canonical SMILES for 2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide is CNC(=O)C(CCC=O)N1C(=O)c2cccc(N)c2C1(O)O.
What is the InChIKey of 2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide?
The InChIKey is KHOVBKYHYKECLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O5/c1-16-12(19)10(6-3-7-18)17-13(20)8-4-2-5-9(15)11(8)14(17,21)22/h2,4-5,7,10,21-22H,3,6,15H2,1H3,(H,16,19).
What are the key properties of 2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide?
2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide has a molecular weight of 307.31 g/mol, XLogP of -1.09, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-amino-1,1-dihydroxy-3-oxoisoindol-2-yl)-N-methyl-5-oxopentanamide is sourced from PubChem (CID 146273965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).