(5S)-5-ethyl-1-(morpholin-4-ylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione

C17H21N3O4 — CID 745593

IUPAC(5S)-5-ethyl-1-(morpholin-4-ylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCC[C@]1(c2ccccc2)C(=O)NC(=O)N(CN2CCOCC2)C1=O
InChIInChI=1S/C17H21N3O4/c1-2-17(13-6-4-3-5-7-13)14(21)18-16(23)20(15(17)22)12-19-8-10-24-11-9-19/h3-7H,2,8-12H2,1H3,(H,18,21,23)/t17-/m0/s1
InChIKeyFOEQHWOACOYFPK-KRWDZBQOSA-N
MW331.37 g/mol
LogP0.70
Rot. Bonds4

About (5S)-5-ethyl-1-(morpholin-4-ylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione

(5S)-5-ethyl-1-(morpholin-4-ylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 745593) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is (5S)-5-ethyl-1-(morpholin-4-ylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name(5S)-5-ethyl-1-(morpholin-4-ylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID745593
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name(5S)-5-ethyl-1-(morpholin-4-ylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCC[C@]1(c2ccccc2)C(=O)NC(=O)N(CN2CCOCC2)C1=O
InChIInChI=1S/C17H21N3O4/c1-2-17(13-6-4-3-5-7-13)14(21)18-16(23)20(15(17)22)12-19-8-10-24-11-9-19/h3-7H,2,8-12H2,1H3,(H,18,21,23)/t17-/m0/s1
InChIKeyFOEQHWOACOYFPK-KRWDZBQOSA-N
XLogP0.70
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (5S)-5-ethyl-1-(morpholin-4-ylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione 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 (5S)-5-ethyl-1-(morpholin-4-ylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of (5S)-5-ethyl-1-(morpholin-4-ylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione (CID 745593) is (5S)-5-ethyl-1-(morpholin-4-ylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for (5S)-5-ethyl-1-(morpholin-4-ylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for (5S)-5-ethyl-1-(morpholin-4-ylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione is CC[C@]1(c2ccccc2)C(=O)NC(=O)N(CN2CCOCC2)C1=O.
What is the InChIKey of (5S)-5-ethyl-1-(morpholin-4-ylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is FOEQHWOACOYFPK-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-2-17(13-6-4-3-5-7-13)14(21)18-16(23)20(15(17)22)12-19-8-10-24-11-9-19/h3-7H,2,8-12H2,1H3,(H,18,21,23)/t17-/m0/s1.
What are the key properties of (5S)-5-ethyl-1-(morpholin-4-ylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
(5S)-5-ethyl-1-(morpholin-4-ylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 331.37 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-1-(morpholin-4-ylmethyl)-5-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 745593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).