2-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide

C15H18N2O4 — CID 170731571

IUPAC2-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)N1Cc2ccc(CO)cc2C1=O
InChIInChI=1S/C15H18N2O4/c1-16-14(20)13(3-2-6-18)17-8-11-5-4-10(9-19)7-12(11)15(17)21/h4-7,13,19H,2-3,8-9H2,1H3,(H,16,20)
InChIKeyLNHJBJKKCCMNIM-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.23
Rot. Bonds6

About 2-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide

2-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide (PubChem CID 170731571) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide.

Molecular Properties

Compound Name2-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
PubChem CID170731571
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
SMILESCNC(=O)C(CCC=O)N1Cc2ccc(CO)cc2C1=O
InChIInChI=1S/C15H18N2O4/c1-16-14(20)13(3-2-6-18)17-8-11-5-4-10(9-19)7-12(11)15(17)21/h4-7,13,19H,2-3,8-9H2,1H3,(H,16,20)
InChIKeyLNHJBJKKCCMNIM-UHFFFAOYSA-N
XLogP0.23
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-5-oxo-2-[3-oxo-6-(3-oxopropyl)-1H-isoindol-2-yl]pentanamide
CID 163294263
N-methyl-5-oxo-2-[3-oxo-5-[(propylcarbamoylamino)methyl]-1H-isoindol-2-yl]pentanamide
CID 156721862
2-[6-[[(2-chloroacetyl)amino]methyl]-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 167232625
N-methyl-2-[6-(4-methylpiperazin-1-yl)-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
CID 168970319
ethane;N-methyl-5-oxo-2-(3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)pentanamide
CID 169161654
2-(7-amino-3-oxo-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide;ethane
CID 144752994
2-[5-(aminomethyl)-4-fluoro-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide
CID 176717984
2-(5-methoxy-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide
CID 170727235
ethane;2-(5-methoxy-3-oxo-6-piperazin-1-yl-1H-isoindol-2-yl)-N-methyl-5-oxopentanamide
CID 170727234
2-(6-hydroxy-3-oxo-1H-isoindol-2-yl)-N-methylhex-5-enamide
CID 170119033
N-methyl-2-(6-methyl-1-oxo-5,7-dihydro-3H-pyrrolo[3,4-f]isoindol-2-yl)hex-5-enamide
CID 164923758
N-methyl-5-oxo-2-[3-oxo-7-(propanoylamino)-1H-isoindol-2-yl]pentanamide
CID 168945434

Frequently Asked Questions

What is the IUPAC name of 2-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide?
The IUPAC name of 2-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide (CID 170731571) is 2-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide.
What is the SMILES notation for 2-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide?
The canonical SMILES for 2-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide is CNC(=O)C(CCC=O)N1Cc2ccc(CO)cc2C1=O.
What is the InChIKey of 2-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide?
The InChIKey is LNHJBJKKCCMNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-16-14(20)13(3-2-6-18)17-8-11-5-4-10(9-19)7-12(11)15(17)21/h4-7,13,19H,2-3,8-9H2,1H3,(H,16,20).
What are the key properties of 2-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide?
2-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide has a molecular weight of 290.32 g/mol, XLogP of 0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(hydroxymethyl)-3-oxo-1H-isoindol-2-yl]-N-methyl-5-oxopentanamide is sourced from PubChem (CID 170731571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).