methyl (4R,5S,6R)-1-ethyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate

C15H20N2O3 — CID 16759683

IUPACmethyl (4R,5S,6R)-1-ethyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate
SMILESCCN1C(=O)N[C@@H](c2ccccc2)[C@H](C(=O)OC)[C@H]1C
InChIInChI=1S/C15H20N2O3/c1-4-17-10(2)12(14(18)20-3)13(16-15(17)19)11-8-6-5-7-9-11/h5-10,12-13H,4H2,1-3H3,(H,16,19)/t10-,12-,13+/m1/s1
InChIKeyPWADUKZDADSCAV-RTXFEEFZSA-N
MW276.34 g/mol
LogP1.95
Rot. Bonds3

About methyl (4R,5S,6R)-1-ethyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate

methyl (4R,5S,6R)-1-ethyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate (PubChem CID 16759683) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl (4R,5S,6R)-1-ethyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5S,6R)-1-ethyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate
PubChem CID16759683
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl (4R,5S,6R)-1-ethyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate
SMILESCCN1C(=O)N[C@@H](c2ccccc2)[C@H](C(=O)OC)[C@H]1C
InChIInChI=1S/C15H20N2O3/c1-4-17-10(2)12(14(18)20-3)13(16-15(17)19)11-8-6-5-7-9-11/h5-10,12-13H,4H2,1-3H3,(H,16,19)/t10-,12-,13+/m1/s1
InChIKeyPWADUKZDADSCAV-RTXFEEFZSA-N
XLogP1.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (4R,5S,6R)-1-ethyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate with MolForge

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Related Compounds

Ethyl 1,4-dihydro-2-hydroxy-6-methyl-4-phenyl-5-pyrimidinecarboxylate
CID 220272
Methyl 1,6-dimethyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 650850
(S)-2-(3-Benzyl-ureido)-3-phenyl-propionic acid methyl ester
CID 1996476
Methyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 296188
Ethyl 6-methyl-4-(4-methylphenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 296187
Lactam
CID 53982816
(R)-2-(3-Benzyl-3-methyl-ureido)-3-phenyl-propionic acid methyl ester
CID 2026523
(R)-2-(3-Allyl-ureido)-3-phenyl-propionic acid methyl ester
CID 2033257
Stk364061
CID 2847047
(R)-2-[(2-Ethyl-piperidine-1-carbonyl)-amino]-3-phenyl-propionic acid methyl ester
CID 16681789
methyl (6S)-3-benzyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 6936297
Butyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2847907

Frequently Asked Questions

What is the IUPAC name of methyl (4R,5S,6R)-1-ethyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate?
The IUPAC name of methyl (4R,5S,6R)-1-ethyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate (CID 16759683) is methyl (4R,5S,6R)-1-ethyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate.
What is the SMILES notation for methyl (4R,5S,6R)-1-ethyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate?
The canonical SMILES for methyl (4R,5S,6R)-1-ethyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate is CCN1C(=O)N[C@@H](c2ccccc2)[C@H](C(=O)OC)[C@H]1C.
What is the InChIKey of methyl (4R,5S,6R)-1-ethyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate?
The InChIKey is PWADUKZDADSCAV-RTXFEEFZSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-17-10(2)12(14(18)20-3)13(16-15(17)19)11-8-6-5-7-9-11/h5-10,12-13H,4H2,1-3H3,(H,16,19)/t10-,12-,13+/m1/s1.
What are the key properties of methyl (4R,5S,6R)-1-ethyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate?
methyl (4R,5S,6R)-1-ethyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate has a molecular weight of 276.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5S,6R)-1-ethyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate is sourced from PubChem (CID 16759683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).