N-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide

C14H16N2O3 — CID 142645113

IUPACN-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H16N2O3/c1-9(2)7-8-12(17)15-16-13(18)10-5-3-4-6-11(10)14(16)19/h3-6,9H,7-8H2,1-2H3,(H,15,17)
InChIKeyRXUFDWMCHNWIEA-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.75
Rot. Bonds4

About N-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide

N-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide (PubChem CID 142645113) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
PubChem CID142645113
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
SMILESCC(C)CCC(=O)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H16N2O3/c1-9(2)7-8-12(17)15-16-13(18)10-5-3-4-6-11(10)14(16)19/h3-6,9H,7-8H2,1-2H3,(H,15,17)
InChIKeyRXUFDWMCHNWIEA-UHFFFAOYSA-N
XLogP1.75
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-dioxoisoindol-2-yl)-3-methylhexanamide
CID 75526472
N-(1,3-dioxoisoindol-2-yl)octanamide
CID 11173742
N-(1,3-dioxoisoindol-2-yl)-3-(4-methylphenyl)propanamide
CID 11066794
N-(1,3-dioxoisoindol-2-yl)-3,3,3-trifluoropropanamide
CID 53484393
N-(1,3-dioxoisoindol-2-yl)-2-(2-propan-2-ylphenoxy)acetamide
CID 965730
3-(4-chlorophenyl)-N-(1,3-dioxoisoindol-2-yl)propanamide
CID 10925510
2-(1,3-dioxoisoindol-2-yl)-N-(2-methylpropyl)acetamide
CID 2787083
2-[(1,3-dioxoisoindol-2-yl)amino]pentanedioic acid
CID 175505324
N-(1,3-dioxoisoindol-2-yl)-2-indol-1-ylacetamide
CID 17080239
2-[[(2S,3S)-3-hydroxybutan-2-yl]amino]isoindole-1,3-dione
CID 134896930
N-(1,3-dioxoisoindol-2-yl)-2-methyl-3-phenylprop-2-enamide
CID 3820988
N-[1-(1,3-dioxoisoindol-2-yl)ethyl]propanamide
CID 70491073

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide (CID 142645113) is N-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide is CC(C)CCC(=O)NN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
The InChIKey is RXUFDWMCHNWIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9(2)7-8-12(17)15-16-13(18)10-5-3-4-6-11(10)14(16)19/h3-6,9H,7-8H2,1-2H3,(H,15,17).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide?
N-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide has a molecular weight of 260.29 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide is sourced from PubChem (CID 142645113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).