(5R,6S)-1,3,5-tribenzyl-6-(4-methoxyphenyl)-1,3-diazinane-2,4-dione

C32H30N2O3 — CID 166443703

IUPAC(5R,6S)-1,3,5-tribenzyl-6-(4-methoxyphenyl)-1,3-diazinane-2,4-dione
SMILESCOc1ccc(C2[C@@H](Cc3ccccc3)C(=O)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C32H30N2O3/c1-37-28-19-17-27(18-20-28)30-29(21-24-11-5-2-6-12-24)31(35)34(23-26-15-9-4-10-16-26)32(36)33(30)22-25-13-7-3-8-14-25/h2-20,29-30H,21-23H2,1H3/t29-,30?/m1/s1
InChIKeyGBRQFYZCPNBDML-IDCGIGBZSA-N
MW490.60 g/mol
LogP6.26
Rot. Bonds8

About (5R,6S)-1,3,5-tribenzyl-6-(4-methoxyphenyl)-1,3-diazinane-2,4-dione

(5R,6S)-1,3,5-tribenzyl-6-(4-methoxyphenyl)-1,3-diazinane-2,4-dione (PubChem CID 166443703) has the molecular formula C32H30N2O3 and a molecular weight of 490.60 g/mol. Its IUPAC name is (5R,6S)-1,3,5-tribenzyl-6-(4-methoxyphenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name(5R,6S)-1,3,5-tribenzyl-6-(4-methoxyphenyl)-1,3-diazinane-2,4-dione
PubChem CID166443703
Molecular FormulaC32H30N2O3
Molecular Weight490.60 g/mol
Exact Mass490.23
IUPAC Name(5R,6S)-1,3,5-tribenzyl-6-(4-methoxyphenyl)-1,3-diazinane-2,4-dione
SMILESCOc1ccc(C2[C@@H](Cc3ccccc3)C(=O)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C32H30N2O3/c1-37-28-19-17-27(18-20-28)30-29(21-24-11-5-2-6-12-24)31(35)34(23-26-15-9-4-10-16-26)32(36)33(30)22-25-13-7-3-8-14-25/h2-20,29-30H,21-23H2,1H3/t29-,30?/m1/s1
InChIKeyGBRQFYZCPNBDML-IDCGIGBZSA-N
XLogP6.26
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R,6S)-1,3,5-tribenzyl-6-(4-methoxyphenyl)-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

(3R,4S)-3-benzyl-1,4-bis(4-methoxyphenyl)azetidin-2-one
CID 54114179
(4S)-1,3-dibenzyl-4-phenylazetidin-2-one
CID 58632784
1-benzyl-3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenylimidazolidin-2-one
CID 3843715
(2S,5R,6S)-2-benzyl-5,6-bis(4-chlorophenyl)-4-[(4-methoxyphenyl)methyl]morpholin-3-one
CID 118631978
(3R)-3-benzyl-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 2176488
3-benzyl-5-ethyl-1-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 154994700
(3R,4S,5R)-1-benzyl-3,4-dihydroxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 10881978
(4R)-1-benzyl-3-[(4-methoxyphenyl)methyl]-4-phenyl-4H-pyrimidin-2-one
CID 134944587
(3R,4S)-3-ethenyl-1-[(4-methoxyphenyl)methyl]-4-phenylazetidin-2-one
CID 10266407
(3R,6S)-6-benzyl-1-[(4-methoxyphenyl)methyl]-3-(sulfanylmethyl)piperazine-2,5-dione
CID 10809178
(4S,5R)-1-benzyl-4-hydroxy-5-[(4-methoxyphenyl)methyl]pyrrolidin-2-one
CID 134850808
3-(2-chloroethyl)-4-(4-methoxyphenyl)-1-phenylazetidin-2-one
CID 10852860

Frequently Asked Questions

What is the IUPAC name of (5R,6S)-1,3,5-tribenzyl-6-(4-methoxyphenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of (5R,6S)-1,3,5-tribenzyl-6-(4-methoxyphenyl)-1,3-diazinane-2,4-dione (CID 166443703) is (5R,6S)-1,3,5-tribenzyl-6-(4-methoxyphenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for (5R,6S)-1,3,5-tribenzyl-6-(4-methoxyphenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for (5R,6S)-1,3,5-tribenzyl-6-(4-methoxyphenyl)-1,3-diazinane-2,4-dione is COc1ccc(C2[C@@H](Cc3ccccc3)C(=O)N(Cc3ccccc3)C(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of (5R,6S)-1,3,5-tribenzyl-6-(4-methoxyphenyl)-1,3-diazinane-2,4-dione?
The InChIKey is GBRQFYZCPNBDML-IDCGIGBZSA-N. The full InChI is InChI=1S/C32H30N2O3/c1-37-28-19-17-27(18-20-28)30-29(21-24-11-5-2-6-12-24)31(35)34(23-26-15-9-4-10-16-26)32(36)33(30)22-25-13-7-3-8-14-25/h2-20,29-30H,21-23H2,1H3/t29-,30?/m1/s1.
What are the key properties of (5R,6S)-1,3,5-tribenzyl-6-(4-methoxyphenyl)-1,3-diazinane-2,4-dione?
(5R,6S)-1,3,5-tribenzyl-6-(4-methoxyphenyl)-1,3-diazinane-2,4-dione has a molecular weight of 490.60 g/mol, XLogP of 6.26, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S)-1,3,5-tribenzyl-6-(4-methoxyphenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 166443703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).