6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide

C14H16N2O4 — CID 4871646

IUPAC6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)NO
InChIInChI=1S/C14H16N2O4/c17-12(15-20)8-2-1-5-9-16-13(18)10-6-3-4-7-11(10)14(16)19/h3-4,6-7,20H,1-2,5,8-9H2,(H,15,17)
InChIKeyOMSFHHHXKKUCLQ-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.35
Rot. Bonds6

About 6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide

6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide (PubChem CID 4871646) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide
PubChem CID4871646
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide
SMILESO=C(CCCCCN1C(=O)c2ccccc2C1=O)NO
InChIInChI=1S/C14H16N2O4/c17-12(15-20)8-2-1-5-9-16-13(18)10-6-3-4-7-11(10)14(16)19/h3-4,6-7,20H,1-2,5,8-9H2,(H,15,17)
InChIKeyOMSFHHHXKKUCLQ-UHFFFAOYSA-N
XLogP1.35
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

Thalidomide
CID 5426
Phthalimide
CID 6809
N-Methylphthalimide
CID 11074
N-Hydroxyphthalimide
CID 10665
(S)-Thalidomide
CID 92142
Phthalimidine
CID 10199
Isopropylphthalimide
CID 67535
N-(hydroxymethyl)phthalimide
CID 8354
N-Butylphthalimide
CID 73812
Chloromethylphthalimide
CID 87154
N-Ethylphthalimide
CID 21120
N-Phthaloylglycine
CID 20825

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide?
The IUPAC name of 6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide (CID 4871646) is 6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide.
What is the SMILES notation for 6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide?
The canonical SMILES for 6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide is O=C(CCCCCN1C(=O)c2ccccc2C1=O)NO.
What is the InChIKey of 6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide?
The InChIKey is OMSFHHHXKKUCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-12(15-20)8-2-1-5-9-16-13(18)10-6-3-4-7-11(10)14(16)19/h3-4,6-7,20H,1-2,5,8-9H2,(H,15,17).
What are the key properties of 6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide?
6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide has a molecular weight of 276.29 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-dioxoisoindol-2-yl)-N-hydroxyhexanamide is sourced from PubChem (CID 4871646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).