3,5,5-trimethyl-3-phenyl-4-(2-phenylethoxy)morpholin-2-one

C21H25NO3 — CID 91346718

IUPAC3,5,5-trimethyl-3-phenyl-4-(2-phenylethoxy)morpholin-2-one
SMILESCC1(C)COC(=O)C(C)(c2ccccc2)N1OCCc1ccccc1
InChIInChI=1S/C21H25NO3/c1-20(2)16-24-19(23)21(3,18-12-8-5-9-13-18)22(20)25-15-14-17-10-6-4-7-11-17/h4-13H,14-16H2,1-3H3
InChIKeyDNLMOECGSAOOCP-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.71
Rot. Bonds5

About 3,5,5-trimethyl-3-phenyl-4-(2-phenylethoxy)morpholin-2-one

3,5,5-trimethyl-3-phenyl-4-(2-phenylethoxy)morpholin-2-one (PubChem CID 91346718) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is 3,5,5-trimethyl-3-phenyl-4-(2-phenylethoxy)morpholin-2-one.

Molecular Properties

Compound Name3,5,5-trimethyl-3-phenyl-4-(2-phenylethoxy)morpholin-2-one
PubChem CID91346718
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Name3,5,5-trimethyl-3-phenyl-4-(2-phenylethoxy)morpholin-2-one
SMILESCC1(C)COC(=O)C(C)(c2ccccc2)N1OCCc1ccccc1
InChIInChI=1S/C21H25NO3/c1-20(2)16-24-19(23)21(3,18-12-8-5-9-13-18)22(20)25-15-14-17-10-6-4-7-11-17/h4-13H,14-16H2,1-3H3
InChIKeyDNLMOECGSAOOCP-UHFFFAOYSA-N
XLogP3.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,5,5-trimethyl-3-phenyl-4-(2-phenylethoxy)morpholin-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

Related Compounds

4-hydroxy-3,5,5-trimethyl-3-phenylmorpholin-2-one
CID 69426851
10,10-diethyl-8,8-dimethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
CID 90694059
methyl 1,3,3-trimethyl-2-(2-phenylethoxy)-4H-isoquinoline-1-carboxylate
CID 90767737
2,2-diethyl-6,6-dimethyl-1-(2-phenylethoxy)-4,4-dipropoxypiperidine
CID 91323827
3-ethyl-3-(3-phenylpropyl)oxetan-2-one
CID 155351217
2-[2,6-diethyl-2,3,6-trimethyl-1-(2-phenylethoxy)piperidin-4-yl]isoindole-1,3-dione
CID 91220938
8,10-diethyl-3,3,8,10,11-pentamethyl-9-(2-phenylethoxy)-1,5-dioxa-9-azaspiro[5.5]undecane
CID 91222787
5-methyl-5-(3-phenylpropyl)-1,3-dioxane-4,6-dione
CID 118947181
(4S)-4-methyl-4-(2-phenylethyl)oxolan-2-one
CID 131860744
2,2-diethyl-6,6-dimethyl-4,4-dioctoxy-1-(2-phenylethoxy)piperidine
CID 91564852
7,9-diethyl-3,3,6,7,9-pentamethyl-8-(2-phenylethoxy)-1,4-dioxa-8-azaspiro[4.5]decane
CID 91235372
4,4,6,6-tetramethyl-2-(3-phenylpropoxy)-1,3,2lambda5-dioxaphosphinane 2-oxide
CID 15019172

Frequently Asked Questions

What is the IUPAC name of 3,5,5-trimethyl-3-phenyl-4-(2-phenylethoxy)morpholin-2-one?
The IUPAC name of 3,5,5-trimethyl-3-phenyl-4-(2-phenylethoxy)morpholin-2-one (CID 91346718) is 3,5,5-trimethyl-3-phenyl-4-(2-phenylethoxy)morpholin-2-one.
What is the SMILES notation for 3,5,5-trimethyl-3-phenyl-4-(2-phenylethoxy)morpholin-2-one?
The canonical SMILES for 3,5,5-trimethyl-3-phenyl-4-(2-phenylethoxy)morpholin-2-one is CC1(C)COC(=O)C(C)(c2ccccc2)N1OCCc1ccccc1.
What is the InChIKey of 3,5,5-trimethyl-3-phenyl-4-(2-phenylethoxy)morpholin-2-one?
The InChIKey is DNLMOECGSAOOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-20(2)16-24-19(23)21(3,18-12-8-5-9-13-18)22(20)25-15-14-17-10-6-4-7-11-17/h4-13H,14-16H2,1-3H3.
What are the key properties of 3,5,5-trimethyl-3-phenyl-4-(2-phenylethoxy)morpholin-2-one?
3,5,5-trimethyl-3-phenyl-4-(2-phenylethoxy)morpholin-2-one has a molecular weight of 339.44 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,5-trimethyl-3-phenyl-4-(2-phenylethoxy)morpholin-2-one is sourced from PubChem (CID 91346718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).