4,11-diethyl-7,14-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone

C26H26N4O4 — CID 2945966

IUPAC4,11-diethyl-7,14-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
SMILESCCN1C(=O)C2C(C1=O)N1C(c3ccccc3)C3C(=O)N(CC)C(=O)C3N1C2c1ccccc1
InChIInChI=1S/C26H26N4O4/c1-3-27-23(31)17-19(15-11-7-5-8-12-15)30-22-18(24(32)28(4-2)26(22)34)20(16-13-9-6-10-14-16)29(30)21(17)25(27)33/h5-14,17-22H,3-4H2,1-2H3
InChIKeyKDGIJHBFUTXCFV-UHFFFAOYSA-N
MW458.52 g/mol
LogP1.76
Rot. Bonds4

About 4,11-diethyl-7,14-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone

4,11-diethyl-7,14-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone (PubChem CID 2945966) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 4,11-diethyl-7,14-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone.

Molecular Properties

Compound Name4,11-diethyl-7,14-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
PubChem CID2945966
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name4,11-diethyl-7,14-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
SMILESCCN1C(=O)C2C(C1=O)N1C(c3ccccc3)C3C(=O)N(CC)C(=O)C3N1C2c1ccccc1
InChIInChI=1S/C26H26N4O4/c1-3-27-23(31)17-19(15-11-7-5-8-12-15)30-22-18(24(32)28(4-2)26(22)34)20(16-13-9-6-10-14-16)29(30)21(17)25(27)33/h5-14,17-22H,3-4H2,1-2H3
InChIKeyKDGIJHBFUTXCFV-UHFFFAOYSA-N
XLogP1.76
TPSA81.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4,11-diethyl-7,14-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone with MolForge

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Related Compounds

(2R,6S,7S,9S,13S,14S)-4,11-diethyl-7,14-bis(2-methoxyphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 124823036
4,11-dibenzyl-7,14-bis(4-methylphenyl)-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 3922692
(3S,3aS,6aS)-1-benzyl-5-ethyl-3-phenyl-2,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrazole-4,6-dione
CID 11893047
(3aR,6S,6aS)-2-ethyl-6-phenyl-5-propan-2-yl-6,6a-dihydro-3aH-pyrrolo[3,4-c]pyrrole-1,3,4-trione
CID 23246690
(2R,6S,7S,9R,13S,14S)-4,11-bis(4-methoxyphenyl)-7,14-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 124719118
(2S,6S,7S,9R,13R,14R)-4,11-bis(4-fluorophenyl)-7,14-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 11946842
(2R,6R,7R,9S,13S,14R)-4,11-bis(4-fluorophenyl)-7,14-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 11946844
17-ethyl-1-(hydroxymethyl)-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 14912119
3-ethyl-5-phenylimidazolidine-2,4-dione
CID 3292
3-ethyl-5-phenylimidazolidine-2,4-dione;hydrochloride
CID 140541909
4,11-bis(3-chloro-4-methylphenyl)-7,14-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 5141367
7,14-bis(4-methoxyphenyl)-4,11-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone
CID 5234641

Frequently Asked Questions

What is the IUPAC name of 4,11-diethyl-7,14-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone?
The IUPAC name of 4,11-diethyl-7,14-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone (CID 2945966) is 4,11-diethyl-7,14-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone.
What is the SMILES notation for 4,11-diethyl-7,14-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone?
The canonical SMILES for 4,11-diethyl-7,14-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone is CCN1C(=O)C2C(C1=O)N1C(c3ccccc3)C3C(=O)N(CC)C(=O)C3N1C2c1ccccc1.
What is the InChIKey of 4,11-diethyl-7,14-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone?
The InChIKey is KDGIJHBFUTXCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-3-27-23(31)17-19(15-11-7-5-8-12-15)30-22-18(24(32)28(4-2)26(22)34)20(16-13-9-6-10-14-16)29(30)21(17)25(27)33/h5-14,17-22H,3-4H2,1-2H3.
What are the key properties of 4,11-diethyl-7,14-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone?
4,11-diethyl-7,14-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone has a molecular weight of 458.52 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,11-diethyl-7,14-diphenyl-1,4,8,11-tetrazatetracyclo[6.6.0.02,6.09,13]tetradecane-3,5,10,12-tetrone is sourced from PubChem (CID 2945966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).