diphenyl diazinane-1,2-dicarboxylate

C18H18N2O4 — CID 139696788

IUPACdiphenyl diazinane-1,2-dicarboxylate
SMILESO=C(Oc1ccccc1)N1CCCCN1C(=O)Oc1ccccc1
InChIInChI=1S/C18H18N2O4/c21-17(23-15-9-3-1-4-10-15)19-13-7-8-14-20(19)18(22)24-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
InChIKeyVIHCAULKDJVLBN-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.70
Rot. Bonds2

About diphenyl diazinane-1,2-dicarboxylate

diphenyl diazinane-1,2-dicarboxylate (PubChem CID 139696788) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is diphenyl diazinane-1,2-dicarboxylate.

Molecular Properties

Compound Namediphenyl diazinane-1,2-dicarboxylate
PubChem CID139696788
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Namediphenyl diazinane-1,2-dicarboxylate
SMILESO=C(Oc1ccccc1)N1CCCCN1C(=O)Oc1ccccc1
InChIInChI=1S/C18H18N2O4/c21-17(23-15-9-3-1-4-10-15)19-13-7-8-14-20(19)18(22)24-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2
InChIKeyVIHCAULKDJVLBN-UHFFFAOYSA-N
XLogP3.70
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-phenoxyphenyl) pyrrolidine-1-carboxylate
CID 54080617
phenyl 2-oxopiperidine-1-carboxylate
CID 10036365
phenyl 2-oxo-1,3-diazepane-1-carboxylate
CID 58856696
phenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 141023786
phenyl 3-(azocan-1-yl)prop-2-enoate
CID 2751342
phenyl 4-(cyclobutanecarbonyl)-1,4-diazepane-1-carboxylate
CID 110799294
phenyl 2-methylpyrrolidine-1-carboxylate
CID 64593255
phenyl 4-methyl-1,4-diazepane-1-carboxylate
CID 60637805
phenyl 4-cyanopiperidine-1-carboxylate
CID 62077915
phenyl 2-sulfanylideneimidazolidine-1-carboxylate
CID 139667776
phenyl 3-pyrrolidin-1-ylpiperidine-1-carboxylate
CID 63719182
phenyl 4-cyclopentylpiperazine-1-carboxylate
CID 60745355

Frequently Asked Questions

What is the IUPAC name of diphenyl diazinane-1,2-dicarboxylate?
The IUPAC name of diphenyl diazinane-1,2-dicarboxylate (CID 139696788) is diphenyl diazinane-1,2-dicarboxylate.
What is the SMILES notation for diphenyl diazinane-1,2-dicarboxylate?
The canonical SMILES for diphenyl diazinane-1,2-dicarboxylate is O=C(Oc1ccccc1)N1CCCCN1C(=O)Oc1ccccc1.
What is the InChIKey of diphenyl diazinane-1,2-dicarboxylate?
The InChIKey is VIHCAULKDJVLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-17(23-15-9-3-1-4-10-15)19-13-7-8-14-20(19)18(22)24-16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2.
What are the key properties of diphenyl diazinane-1,2-dicarboxylate?
diphenyl diazinane-1,2-dicarboxylate has a molecular weight of 326.35 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl diazinane-1,2-dicarboxylate is sourced from PubChem (CID 139696788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).