N-[3-(2,6-dioxopiperidin-3-yl)-4-oxophthalazin-5-yl]tridecanamide

C26H36N4O4 — CID 170207210

IUPACN-[3-(2,6-dioxopiperidin-3-yl)-4-oxophthalazin-5-yl]tridecanamide
SMILESCCCCCCCCCCCCC(=O)Nc1cccc2cnn(C3CCC(=O)NC3=O)c(=O)c12
InChIInChI=1S/C26H36N4O4/c1-2-3-4-5-6-7-8-9-10-11-15-22(31)28-20-14-12-13-19-18-27-30(26(34)24(19)20)21-16-17-23(32)29-25(21)33/h12-14,18,21H,2-11,15-17H2,1H3,(H,28,31)(H,29,32,33)
InChIKeyGKUFCZUQSFFUFP-UHFFFAOYSA-N
MW468.60 g/mol
LogP4.62
Rot. Bonds13

About N-[3-(2,6-dioxopiperidin-3-yl)-4-oxophthalazin-5-yl]tridecanamide

N-[3-(2,6-dioxopiperidin-3-yl)-4-oxophthalazin-5-yl]tridecanamide (PubChem CID 170207210) has the molecular formula C26H36N4O4 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[3-(2,6-dioxopiperidin-3-yl)-4-oxophthalazin-5-yl]tridecanamide.

Molecular Properties

Compound NameN-[3-(2,6-dioxopiperidin-3-yl)-4-oxophthalazin-5-yl]tridecanamide
PubChem CID170207210
Molecular FormulaC26H36N4O4
Molecular Weight468.60 g/mol
Exact Mass468.27
IUPAC NameN-[3-(2,6-dioxopiperidin-3-yl)-4-oxophthalazin-5-yl]tridecanamide
SMILESCCCCCCCCCCCCC(=O)Nc1cccc2cnn(C3CCC(=O)NC3=O)c(=O)c12
InChIInChI=1S/C26H36N4O4/c1-2-3-4-5-6-7-8-9-10-11-15-22(31)28-20-14-12-13-19-18-27-30(26(34)24(19)20)21-16-17-23(32)29-25(21)33/h12-14,18,21H,2-11,15-17H2,1H3,(H,28,31)(H,29,32,33)
InChIKeyGKUFCZUQSFFUFP-UHFFFAOYSA-N
XLogP4.62
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.60
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

6-[[3-(2,6-dioxopiperidin-3-yl)-4-oxophthalazin-5-yl]amino]hexanoic acid
CID 171637123
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]hexanamide
CID 134164434
N'-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-5-yl]-N-[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]decanediamide
CID 153393708
3-[1-oxo-8-[2-[2-(3-oxo-3-piperazin-1-ylpropoxy)ethoxy]ethylamino]phthalazin-2-yl]piperidine-2,6-dione
CID 166142021
1-[2-[[3-(2,6-dioxopiperidin-3-yl)-4-oxophthalazin-5-yl]amino]ethoxy]ethyl N-tert-butylcarbamate
CID 175430674
N-[3-(2,6-dioxopiperidin-3-yl)-2-methyl-4-oxoquinazolin-6-yl]heptanamide
CID 123383875
3-[8-[2-[2-(2-azidoethoxy)ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione
CID 166142063
3-[8-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione
CID 166141933
N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]-6-hydroxyhexanamide
CID 155292112
3-[8-[2-[2-[2-(4-aminophenoxy)ethoxy]ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione;hydrochloride
CID 166141932
3-[8-[2-[2-[2-(3-aminophenoxy)ethoxy]ethoxy]ethylamino]-1-oxophthalazin-2-yl]piperidine-2,6-dione
CID 166142060
N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]-6-hydroxyhexanamide
CID 155292313

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,6-dioxopiperidin-3-yl)-4-oxophthalazin-5-yl]tridecanamide?
The IUPAC name of N-[3-(2,6-dioxopiperidin-3-yl)-4-oxophthalazin-5-yl]tridecanamide (CID 170207210) is N-[3-(2,6-dioxopiperidin-3-yl)-4-oxophthalazin-5-yl]tridecanamide.
What is the SMILES notation for N-[3-(2,6-dioxopiperidin-3-yl)-4-oxophthalazin-5-yl]tridecanamide?
The canonical SMILES for N-[3-(2,6-dioxopiperidin-3-yl)-4-oxophthalazin-5-yl]tridecanamide is CCCCCCCCCCCCC(=O)Nc1cccc2cnn(C3CCC(=O)NC3=O)c(=O)c12.
What is the InChIKey of N-[3-(2,6-dioxopiperidin-3-yl)-4-oxophthalazin-5-yl]tridecanamide?
The InChIKey is GKUFCZUQSFFUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O4/c1-2-3-4-5-6-7-8-9-10-11-15-22(31)28-20-14-12-13-19-18-27-30(26(34)24(19)20)21-16-17-23(32)29-25(21)33/h12-14,18,21H,2-11,15-17H2,1H3,(H,28,31)(H,29,32,33).
What are the key properties of N-[3-(2,6-dioxopiperidin-3-yl)-4-oxophthalazin-5-yl]tridecanamide?
N-[3-(2,6-dioxopiperidin-3-yl)-4-oxophthalazin-5-yl]tridecanamide has a molecular weight of 468.60 g/mol, XLogP of 4.62, 13 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dioxopiperidin-3-yl)-4-oxophthalazin-5-yl]tridecanamide is sourced from PubChem (CID 170207210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).