5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol

C27H37N3O6 — CID 89444429

IUPAC5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCCC1(c2ccccc2)C(=O)NC(=O)NC1=O.COCCc1ccc(OCC(O)CNC(C)C)cc1
InChIInChI=1S/C15H25NO3.C12H12N2O3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h4-7,12,14,16-17H,8-11H2,1-3H3;3-7H,2H2,1H3,(H2,13,14,15,16,17)
InChIKeyCSITXBNMYAIEAU-UHFFFAOYSA-N
MW499.61 g/mol
LogP2.31
Rot. Bonds11

About 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol

5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol (PubChem CID 89444429) has the molecular formula C27H37N3O6 and a molecular weight of 499.61 g/mol. Its IUPAC name is 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
PubChem CID89444429
Molecular FormulaC27H37N3O6
Molecular Weight499.61 g/mol
Exact Mass499.27
IUPAC Name5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
SMILESCCC1(c2ccccc2)C(=O)NC(=O)NC1=O.COCCc1ccc(OCC(O)CNC(C)C)cc1
InChIInChI=1S/C15H25NO3.C12H12N2O3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h4-7,12,14,16-17H,8-11H2,1-3H3;3-7H,2H2,1H3,(H2,13,14,15,16,17)
InChIKeyCSITXBNMYAIEAU-UHFFFAOYSA-N
XLogP2.31
TPSA125.99 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 52.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methanol;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 175047598
2,3-dihydroxybutanedioic acid;bis((2R)-1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol)
CID 90661400
1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol;methylboronic acid
CID 22295643
1-(propan-2-ylamino)-3-[4-(2-propoxyethyl)phenoxy]propan-2-ol
CID 71336051
1-(propan-2-ylamino)-3-[4-(2-propan-2-yloxyethyl)phenoxy]propan-2-ol
CID 59432716
1-[4-[2-(2-ethoxyethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 22056552
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
1-(4-butylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 10587787
(2S)-2-[[(2R)-2-hydroxy-3-[4-(2-methoxyethyl)phenoxy]propyl]amino]butan-1-ol
CID 25186198
2-[[4-(2-methoxyethyl)phenoxy]methyl]oxirane;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol;propan-2-amine
CID 161341439
methyl 3-[4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoate
CID 25271656
1-[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol;propanoic acid
CID 170341089

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The IUPAC name of 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol (CID 89444429) is 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol.
What is the SMILES notation for 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The canonical SMILES for 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol is CCC1(c2ccccc2)C(=O)NC(=O)NC1=O.COCCc1ccc(OCC(O)CNC(C)C)cc1.
What is the InChIKey of 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
The InChIKey is CSITXBNMYAIEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3.C12H12N2O3/c1-12(2)16-10-14(17)11-19-15-6-4-13(5-7-15)8-9-18-3;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h4-7,12,14,16-17H,8-11H2,1-3H3;3-7H,2H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol?
5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol has a molecular weight of 499.61 g/mol, XLogP of 2.31, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione;1-[4-(2-methoxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol is sourced from PubChem (CID 89444429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).