N-(1,3-dioxoisoindol-2-yl)octanamide

C16H20N2O3 — CID 11173742

IUPACN-(1,3-dioxoisoindol-2-yl)octanamide
SMILESCCCCCCCC(=O)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H20N2O3/c1-2-3-4-5-6-11-14(19)17-18-15(20)12-9-7-8-10-13(12)16(18)21/h7-10H,2-6,11H2,1H3,(H,17,19)
InChIKeyPAZOPMNJWVPWSL-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.67
Rot. Bonds7

About N-(1,3-dioxoisoindol-2-yl)octanamide

N-(1,3-dioxoisoindol-2-yl)octanamide (PubChem CID 11173742) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-(1,3-dioxoisoindol-2-yl)octanamide.

Molecular Properties

Compound NameN-(1,3-dioxoisoindol-2-yl)octanamide
PubChem CID11173742
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-(1,3-dioxoisoindol-2-yl)octanamide
SMILESCCCCCCCC(=O)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C16H20N2O3/c1-2-3-4-5-6-11-14(19)17-18-15(20)12-9-7-8-10-13(12)16(18)21/h7-10H,2-6,11H2,1H3,(H,17,19)
InChIKeyPAZOPMNJWVPWSL-UHFFFAOYSA-N
XLogP2.67
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 142645113
N-(1,3-dioxoisoindol-2-yl)-3-methylhexanamide
CID 75526472
2-(1,3-dioxoisoindol-2-yl)-N-octadecylacetamide
CID 177420701
(1,3-dioxoisoindol-2-yl) octaneperoxoate
CID 123775241
N-(1,3-dioxoisoindol-2-yl)-3,3,3-trifluoropropanamide
CID 53484393
N-[4-[2-(1,3-dioxoisoindol-2-yl)acetyl]phenyl]hexanamide
CID 7960039
N-phenylpentacosanamide
CID 19025260
N-phenylheptatetracontanamide
CID 150503307
3-(4-chlorophenyl)-N-(1,3-dioxoisoindol-2-yl)propanamide
CID 10925510
methyl 6-[(1,3-dioxoisoindol-2-yl)carbamothioylamino]hexanoate
CID 9053552
N-[[2-[(tricosanoylamino)methyl]phenyl]methyl]tricosanamide
CID 101291084
N-(9,10-dioxoanthracen-1-yl)decanamide
CID 4282760

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxoisoindol-2-yl)octanamide?
The IUPAC name of N-(1,3-dioxoisoindol-2-yl)octanamide (CID 11173742) is N-(1,3-dioxoisoindol-2-yl)octanamide.
What is the SMILES notation for N-(1,3-dioxoisoindol-2-yl)octanamide?
The canonical SMILES for N-(1,3-dioxoisoindol-2-yl)octanamide is CCCCCCCC(=O)NN1C(=O)c2ccccc2C1=O.
What is the InChIKey of N-(1,3-dioxoisoindol-2-yl)octanamide?
The InChIKey is PAZOPMNJWVPWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-3-4-5-6-11-14(19)17-18-15(20)12-9-7-8-10-13(12)16(18)21/h7-10H,2-6,11H2,1H3,(H,17,19).
What are the key properties of N-(1,3-dioxoisoindol-2-yl)octanamide?
N-(1,3-dioxoisoindol-2-yl)octanamide has a molecular weight of 288.35 g/mol, XLogP of 2.67, 7 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)octanamide is sourced from PubChem (CID 11173742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).