[4,6-bis[[(2R)-2-phenylbutanoyl]oxy]-1,3,5-triazin-2-yl] (2R)-2-phenylbutanoate

C33H33N3O6 — CID 16663730

IUPAC[4,6-bis[[(2R)-2-phenylbutanoyl]oxy]-1,3,5-triazin-2-yl] (2R)-2-phenylbutanoate
SMILESCC[C@@H](C(=O)Oc1nc(OC(=O)[C@H](CC)c2ccccc2)nc(OC(=O)[C@H](CC)c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C33H33N3O6/c1-4-25(22-16-10-7-11-17-22)28(37)40-31-34-32(41-29(38)26(5-2)23-18-12-8-13-19-23)36-33(35-31)42-30(39)27(6-3)24-20-14-9-15-21-24/h7-21,25-27H,4-6H2,1-3H3/t25-,26-,27-/m1/s1
InChIKeyVPVDZGAKPRTECY-ZONZVBGPSA-N
MW567.64 g/mol
LogP6.17
Rot. Bonds12

About [4,6-bis[[(2R)-2-phenylbutanoyl]oxy]-1,3,5-triazin-2-yl] (2R)-2-phenylbutanoate

[4,6-bis[[(2R)-2-phenylbutanoyl]oxy]-1,3,5-triazin-2-yl] (2R)-2-phenylbutanoate (PubChem CID 16663730) has the molecular formula C33H33N3O6 and a molecular weight of 567.64 g/mol. Its IUPAC name is [4,6-bis[[(2R)-2-phenylbutanoyl]oxy]-1,3,5-triazin-2-yl] (2R)-2-phenylbutanoate.

Molecular Properties

Compound Name[4,6-bis[[(2R)-2-phenylbutanoyl]oxy]-1,3,5-triazin-2-yl] (2R)-2-phenylbutanoate
PubChem CID16663730
Molecular FormulaC33H33N3O6
Molecular Weight567.64 g/mol
Exact Mass567.24
IUPAC Name[4,6-bis[[(2R)-2-phenylbutanoyl]oxy]-1,3,5-triazin-2-yl] (2R)-2-phenylbutanoate
SMILESCC[C@@H](C(=O)Oc1nc(OC(=O)[C@H](CC)c2ccccc2)nc(OC(=O)[C@H](CC)c2ccccc2)n1)c1ccccc1
InChIInChI=1S/C33H33N3O6/c1-4-25(22-16-10-7-11-17-22)28(37)40-31-34-32(41-29(38)26(5-2)23-18-12-8-13-19-23)36-33(35-31)42-30(39)27(6-3)24-20-14-9-15-21-24/h7-21,25-27H,4-6H2,1-3H3/t25-,26-,27-/m1/s1
InChIKeyVPVDZGAKPRTECY-ZONZVBGPSA-N
XLogP6.17
TPSA117.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.64
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze [4,6-bis[[(2R)-2-phenylbutanoyl]oxy]-1,3,5-triazin-2-yl] (2R)-2-phenylbutanoate with MolForge

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Related Compounds

formaldehyde;bis(phenyl 2-phenylbutanoate)
CID 174580951
amino 2-phenylbutanoate
CID 21430295
carbonochloridoyl 2-phenylbutanoate
CID 88710388
aminomethyl 2-phenylbutanoate
CID 175260963
ethyl 2-phenylbutanoate;sulfane
CID 174662373
2-methylbutyl 2-phenylbutanoate
CID 129279414
propan-2-yl (2R)-2-phenylbutanoate
CID 15006686
ethenyl 2-phenylbutanoate
CID 10932238
(2R)-2-phenylbutanamide
CID 139147476
(3-methylphenyl) 2-phenylbutanoate
CID 91719286
nitro 2-phenylbutanoate
CID 69413805
(phenylcarbamoylamino) 2-phenylbutanoate
CID 87787632

Frequently Asked Questions

What is the IUPAC name of [4,6-bis[[(2R)-2-phenylbutanoyl]oxy]-1,3,5-triazin-2-yl] (2R)-2-phenylbutanoate?
The IUPAC name of [4,6-bis[[(2R)-2-phenylbutanoyl]oxy]-1,3,5-triazin-2-yl] (2R)-2-phenylbutanoate (CID 16663730) is [4,6-bis[[(2R)-2-phenylbutanoyl]oxy]-1,3,5-triazin-2-yl] (2R)-2-phenylbutanoate.
What is the SMILES notation for [4,6-bis[[(2R)-2-phenylbutanoyl]oxy]-1,3,5-triazin-2-yl] (2R)-2-phenylbutanoate?
The canonical SMILES for [4,6-bis[[(2R)-2-phenylbutanoyl]oxy]-1,3,5-triazin-2-yl] (2R)-2-phenylbutanoate is CC[C@@H](C(=O)Oc1nc(OC(=O)[C@H](CC)c2ccccc2)nc(OC(=O)[C@H](CC)c2ccccc2)n1)c1ccccc1.
What is the InChIKey of [4,6-bis[[(2R)-2-phenylbutanoyl]oxy]-1,3,5-triazin-2-yl] (2R)-2-phenylbutanoate?
The InChIKey is VPVDZGAKPRTECY-ZONZVBGPSA-N. The full InChI is InChI=1S/C33H33N3O6/c1-4-25(22-16-10-7-11-17-22)28(37)40-31-34-32(41-29(38)26(5-2)23-18-12-8-13-19-23)36-33(35-31)42-30(39)27(6-3)24-20-14-9-15-21-24/h7-21,25-27H,4-6H2,1-3H3/t25-,26-,27-/m1/s1.
What are the key properties of [4,6-bis[[(2R)-2-phenylbutanoyl]oxy]-1,3,5-triazin-2-yl] (2R)-2-phenylbutanoate?
[4,6-bis[[(2R)-2-phenylbutanoyl]oxy]-1,3,5-triazin-2-yl] (2R)-2-phenylbutanoate has a molecular weight of 567.64 g/mol, XLogP of 6.17, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-bis[[(2R)-2-phenylbutanoyl]oxy]-1,3,5-triazin-2-yl] (2R)-2-phenylbutanoate is sourced from PubChem (CID 16663730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).