1-(12-phenyldodecyl)-1,3-diazinane-2,4,6-trione

C22H32N2O3 — CID 69498256

IUPAC1-(12-phenyldodecyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(CCCCCCCCCCCCc2ccccc2)C(=O)N1
InChIInChI=1S/C22H32N2O3/c25-20-18-21(26)24(22(27)23-20)17-13-8-6-4-2-1-3-5-7-10-14-19-15-11-9-12-16-19/h9,11-12,15-16H,1-8,10,13-14,17-18H2,(H,23,25,27)
InChIKeyYUNLSFZUHWTFFA-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.60
Rot. Bonds13

About 1-(12-phenyldodecyl)-1,3-diazinane-2,4,6-trione

1-(12-phenyldodecyl)-1,3-diazinane-2,4,6-trione (PubChem CID 69498256) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-(12-phenyldodecyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(12-phenyldodecyl)-1,3-diazinane-2,4,6-trione
PubChem CID69498256
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name1-(12-phenyldodecyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(CCCCCCCCCCCCc2ccccc2)C(=O)N1
InChIInChI=1S/C22H32N2O3/c25-20-18-21(26)24(22(27)23-20)17-13-8-6-4-2-1-3-5-7-10-14-19-15-11-9-12-16-19/h9,11-12,15-16H,1-8,10,13-14,17-18H2,(H,23,25,27)
InChIKeyYUNLSFZUHWTFFA-UHFFFAOYSA-N
XLogP4.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

CID 70602235
CID 70602235
1-(4-phenylbutyl)imidazolidine-2,4,5-trione
CID 10634153
2-(4-phenylbutyl)isoindole-1,3-dione
CID 10468831
15-phenylpentadecanoic acid
CID 2737151
1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 2187415
1-pent-4-ynyl-1,3-diazinane-2,4,6-trione
CID 130477557
3-(4-phenylbutyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 114334567
1-(8-phenyloctyl)-1,4,7,10-tetrazacyclododecane
CID 137439180
1-(11-phenylundecyl)piperidine;hydrochloride
CID 173446957
4-phenylbutylbenzene
CID 141301927
1,3-bis(4-phenylbutyl)-1,3-diazinane-2,4,6-trione;1,3-bis(2-phenylethyl)-1,3-diazinane-2,4,6-trione;1,3-bis(3-phenylpropyl)-1,3-diazinane-2,4,6-trione;1,3-dibenzyl-1,3-diazinane-2,4,6-trione;1,3-diphenyl-1,3-diazinane-2,4,6-trione;ethane
CID 158655341
sodium;hydride;15-phenylpentadecanoic acid;selane
CID 174846933

Frequently Asked Questions

What is the IUPAC name of 1-(12-phenyldodecyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(12-phenyldodecyl)-1,3-diazinane-2,4,6-trione (CID 69498256) is 1-(12-phenyldodecyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(12-phenyldodecyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(12-phenyldodecyl)-1,3-diazinane-2,4,6-trione is O=C1CC(=O)N(CCCCCCCCCCCCc2ccccc2)C(=O)N1.
What is the InChIKey of 1-(12-phenyldodecyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is YUNLSFZUHWTFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c25-20-18-21(26)24(22(27)23-20)17-13-8-6-4-2-1-3-5-7-10-14-19-15-11-9-12-16-19/h9,11-12,15-16H,1-8,10,13-14,17-18H2,(H,23,25,27).
What are the key properties of 1-(12-phenyldodecyl)-1,3-diazinane-2,4,6-trione?
1-(12-phenyldodecyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 372.51 g/mol, XLogP of 4.60, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(12-phenyldodecyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 69498256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).