(4R,5R,6R)-5-(2-methoxyethoxymethoxy)-4-[(4-methylphenyl)methyl]-6-(2-phenylethyl)-1,3-diazinan-2-one

C24H32N2O4 — CID 59132187

IUPAC(4R,5R,6R)-5-(2-methoxyethoxymethoxy)-4-[(4-methylphenyl)methyl]-6-(2-phenylethyl)-1,3-diazinan-2-one
SMILESCOCCOCO[C@@H]1[C@@H](CCc2ccccc2)NC(=O)N[C@@H]1Cc1ccc(C)cc1
InChIInChI=1S/C24H32N2O4/c1-18-8-10-20(11-9-18)16-22-23(30-17-29-15-14-28-2)21(25-24(27)26-22)13-12-19-6-4-3-5-7-19/h3-11,21-23H,12-17H2,1-2H3,(H2,25,26,27)/t21-,22-,23-/m1/s1
InChIKeyNUZJTCGKHPPQJP-DNVJHFABSA-N
MW412.53 g/mol
LogP3.23
Rot. Bonds11

About (4R,5R,6R)-5-(2-methoxyethoxymethoxy)-4-[(4-methylphenyl)methyl]-6-(2-phenylethyl)-1,3-diazinan-2-one

(4R,5R,6R)-5-(2-methoxyethoxymethoxy)-4-[(4-methylphenyl)methyl]-6-(2-phenylethyl)-1,3-diazinan-2-one (PubChem CID 59132187) has the molecular formula C24H32N2O4 and a molecular weight of 412.53 g/mol. Its IUPAC name is (4R,5R,6R)-5-(2-methoxyethoxymethoxy)-4-[(4-methylphenyl)methyl]-6-(2-phenylethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name(4R,5R,6R)-5-(2-methoxyethoxymethoxy)-4-[(4-methylphenyl)methyl]-6-(2-phenylethyl)-1,3-diazinan-2-one
PubChem CID59132187
Molecular FormulaC24H32N2O4
Molecular Weight412.53 g/mol
Exact Mass412.24
IUPAC Name(4R,5R,6R)-5-(2-methoxyethoxymethoxy)-4-[(4-methylphenyl)methyl]-6-(2-phenylethyl)-1,3-diazinan-2-one
SMILESCOCCOCO[C@@H]1[C@@H](CCc2ccccc2)NC(=O)N[C@@H]1Cc1ccc(C)cc1
InChIInChI=1S/C24H32N2O4/c1-18-8-10-20(11-9-18)16-22-23(30-17-29-15-14-28-2)21(25-24(27)26-22)13-12-19-6-4-3-5-7-19/h3-11,21-23H,12-17H2,1-2H3,(H2,25,26,27)/t21-,22-,23-/m1/s1
InChIKeyNUZJTCGKHPPQJP-DNVJHFABSA-N
XLogP3.23
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (4R,5R,6R)-5-(2-methoxyethoxymethoxy)-4-[(4-methylphenyl)methyl]-6-(2-phenylethyl)-1,3-diazinan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5R,6R)-5-(2-methoxyethoxymethoxy)-4-[(4-methylphenyl)methyl]-6-(2-phenylethyl)-1,3-diazinan-2-one?
The IUPAC name of (4R,5R,6R)-5-(2-methoxyethoxymethoxy)-4-[(4-methylphenyl)methyl]-6-(2-phenylethyl)-1,3-diazinan-2-one (CID 59132187) is (4R,5R,6R)-5-(2-methoxyethoxymethoxy)-4-[(4-methylphenyl)methyl]-6-(2-phenylethyl)-1,3-diazinan-2-one.
What is the SMILES notation for (4R,5R,6R)-5-(2-methoxyethoxymethoxy)-4-[(4-methylphenyl)methyl]-6-(2-phenylethyl)-1,3-diazinan-2-one?
The canonical SMILES for (4R,5R,6R)-5-(2-methoxyethoxymethoxy)-4-[(4-methylphenyl)methyl]-6-(2-phenylethyl)-1,3-diazinan-2-one is COCCOCO[C@@H]1[C@@H](CCc2ccccc2)NC(=O)N[C@@H]1Cc1ccc(C)cc1.
What is the InChIKey of (4R,5R,6R)-5-(2-methoxyethoxymethoxy)-4-[(4-methylphenyl)methyl]-6-(2-phenylethyl)-1,3-diazinan-2-one?
The InChIKey is NUZJTCGKHPPQJP-DNVJHFABSA-N. The full InChI is InChI=1S/C24H32N2O4/c1-18-8-10-20(11-9-18)16-22-23(30-17-29-15-14-28-2)21(25-24(27)26-22)13-12-19-6-4-3-5-7-19/h3-11,21-23H,12-17H2,1-2H3,(H2,25,26,27)/t21-,22-,23-/m1/s1.
What are the key properties of (4R,5R,6R)-5-(2-methoxyethoxymethoxy)-4-[(4-methylphenyl)methyl]-6-(2-phenylethyl)-1,3-diazinan-2-one?
(4R,5R,6R)-5-(2-methoxyethoxymethoxy)-4-[(4-methylphenyl)methyl]-6-(2-phenylethyl)-1,3-diazinan-2-one has a molecular weight of 412.53 g/mol, XLogP of 3.23, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R,6R)-5-(2-methoxyethoxymethoxy)-4-[(4-methylphenyl)methyl]-6-(2-phenylethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 59132187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).