(4S,5S,6R)-5-acetyl-1-(2-methoxyethyl)-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one

C18H26N2O3 — CID 16745727

IUPAC(4S,5S,6R)-5-acetyl-1-(2-methoxyethyl)-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one
SMILESCOCCN1C(=O)N[C@@H](CCc2ccccc2)[C@H](C(C)=O)[C@H]1C
InChIInChI=1S/C18H26N2O3/c1-13-17(14(2)21)16(10-9-15-7-5-4-6-8-15)19-18(22)20(13)11-12-23-3/h4-8,13,16-17H,9-12H2,1-3H3,(H,19,22)/t13-,16+,17+/m1/s1
InChIKeyDZOJNJZFOMELLL-COXVUDFISA-N
MW318.42 g/mol
LogP2.25
Rot. Bonds7

About (4S,5S,6R)-5-acetyl-1-(2-methoxyethyl)-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one

(4S,5S,6R)-5-acetyl-1-(2-methoxyethyl)-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one (PubChem CID 16745727) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is (4S,5S,6R)-5-acetyl-1-(2-methoxyethyl)-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one.

Molecular Properties

Compound Name(4S,5S,6R)-5-acetyl-1-(2-methoxyethyl)-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one
PubChem CID16745727
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name(4S,5S,6R)-5-acetyl-1-(2-methoxyethyl)-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one
SMILESCOCCN1C(=O)N[C@@H](CCc2ccccc2)[C@H](C(C)=O)[C@H]1C
InChIInChI=1S/C18H26N2O3/c1-13-17(14(2)21)16(10-9-15-7-5-4-6-8-15)19-18(22)20(13)11-12-23-3/h4-8,13,16-17H,9-12H2,1-3H3,(H,19,22)/t13-,16+,17+/m1/s1
InChIKeyDZOJNJZFOMELLL-COXVUDFISA-N
XLogP2.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S,5S,6R)-5-acetyl-1-(2-methoxyethyl)-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one with MolForge

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Related Compounds

[(1R)-3-methyl-1-[[(2S)-2-(morpholine-4-carbonylamino)-3-phenylpropanoyl]amino]butyl]boronic acid
CID 10271738
Ethyl 4-[(3-phenylpropanoyl)amino]piperidine-1-carboxylate
CID 4566793
(R)-2-[(2-Ethyl-piperidine-1-carbonyl)-amino]-3-phenyl-propionic acid methyl ester
CID 16681789
Morpholine-4-carboxylic acid [1-(1-cyano-3-phenyl-propylcarbamoyl)-3-methyl-butyl]-amide
CID 9843168
(S)-2-(N-(Morpholinocarbonyl)leucyl)amino-4-phenylbutanal
CID 10340297
Morpholine-4-carboxylic acid [1-(1-cyano-3-phenyl-propylcarbamoyl)-pentyl]-amide
CID 10960024
(4S,5S,6R)-5-acetyl-1-benzyl-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one
CID 16745555
ethyl 2-[(4S,5S,6R)-5-acetyl-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinan-1-yl]acetate
CID 16759623
Piperidine-1,3-dicarboxylic acid 1-cyclohexylamide 3-(phenethyl-amide)
CID 646128
1-N,1-N-dimethyl-3-N-[2-(4-methylphenyl)ethyl]piperidine-1,3-dicarboxamide
CID 4651575
1-N,1-N-dimethyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 4651693
(6S)-5-acetyl-3-(2-methoxyethyl)-4-methyl-6-(2-phenylethyl)-1,6-dihydropyrimidin-2-one
CID 9548411

Frequently Asked Questions

What is the IUPAC name of (4S,5S,6R)-5-acetyl-1-(2-methoxyethyl)-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one?
The IUPAC name of (4S,5S,6R)-5-acetyl-1-(2-methoxyethyl)-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one (CID 16745727) is (4S,5S,6R)-5-acetyl-1-(2-methoxyethyl)-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one.
What is the SMILES notation for (4S,5S,6R)-5-acetyl-1-(2-methoxyethyl)-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one?
The canonical SMILES for (4S,5S,6R)-5-acetyl-1-(2-methoxyethyl)-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one is COCCN1C(=O)N[C@@H](CCc2ccccc2)[C@H](C(C)=O)[C@H]1C.
What is the InChIKey of (4S,5S,6R)-5-acetyl-1-(2-methoxyethyl)-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one?
The InChIKey is DZOJNJZFOMELLL-COXVUDFISA-N. The full InChI is InChI=1S/C18H26N2O3/c1-13-17(14(2)21)16(10-9-15-7-5-4-6-8-15)19-18(22)20(13)11-12-23-3/h4-8,13,16-17H,9-12H2,1-3H3,(H,19,22)/t13-,16+,17+/m1/s1.
What are the key properties of (4S,5S,6R)-5-acetyl-1-(2-methoxyethyl)-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one?
(4S,5S,6R)-5-acetyl-1-(2-methoxyethyl)-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one has a molecular weight of 318.42 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S,6R)-5-acetyl-1-(2-methoxyethyl)-6-methyl-4-(2-phenylethyl)-1,3-diazinan-2-one is sourced from PubChem (CID 16745727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).