methyl 2-[3-(oxetan-3-yloxy)propanoylamino]-2-(4-propan-2-ylphenyl)acetate

C18H25NO5 — CID 155957648

IUPACmethyl 2-[3-(oxetan-3-yloxy)propanoylamino]-2-(4-propan-2-ylphenyl)acetate
SMILESCOC(=O)C(NC(=O)CCOC1COC1)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H25NO5/c1-12(2)13-4-6-14(7-5-13)17(18(21)22-3)19-16(20)8-9-24-15-10-23-11-15/h4-7,12,15,17H,8-11H2,1-3H3,(H,19,20)
InChIKeyZJHYVXCPZKNDAM-UHFFFAOYSA-N
MW335.40 g/mol
LogP1.95
Rot. Bonds8

About methyl 2-[3-(oxetan-3-yloxy)propanoylamino]-2-(4-propan-2-ylphenyl)acetate

methyl 2-[3-(oxetan-3-yloxy)propanoylamino]-2-(4-propan-2-ylphenyl)acetate (PubChem CID 155957648) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is methyl 2-[3-(oxetan-3-yloxy)propanoylamino]-2-(4-propan-2-ylphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-[3-(oxetan-3-yloxy)propanoylamino]-2-(4-propan-2-ylphenyl)acetate
PubChem CID155957648
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Namemethyl 2-[3-(oxetan-3-yloxy)propanoylamino]-2-(4-propan-2-ylphenyl)acetate
SMILESCOC(=O)C(NC(=O)CCOC1COC1)c1ccc(C(C)C)cc1
InChIInChI=1S/C18H25NO5/c1-12(2)13-4-6-14(7-5-13)17(18(21)22-3)19-16(20)8-9-24-15-10-23-11-15/h4-7,12,15,17H,8-11H2,1-3H3,(H,19,20)
InChIKeyZJHYVXCPZKNDAM-UHFFFAOYSA-N
XLogP1.95
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(oxetan-3-yloxy)propanoylamino]-2-(4-propan-2-ylphenyl)acetate?
The IUPAC name of methyl 2-[3-(oxetan-3-yloxy)propanoylamino]-2-(4-propan-2-ylphenyl)acetate (CID 155957648) is methyl 2-[3-(oxetan-3-yloxy)propanoylamino]-2-(4-propan-2-ylphenyl)acetate.
What is the SMILES notation for methyl 2-[3-(oxetan-3-yloxy)propanoylamino]-2-(4-propan-2-ylphenyl)acetate?
The canonical SMILES for methyl 2-[3-(oxetan-3-yloxy)propanoylamino]-2-(4-propan-2-ylphenyl)acetate is COC(=O)C(NC(=O)CCOC1COC1)c1ccc(C(C)C)cc1.
What is the InChIKey of methyl 2-[3-(oxetan-3-yloxy)propanoylamino]-2-(4-propan-2-ylphenyl)acetate?
The InChIKey is ZJHYVXCPZKNDAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-12(2)13-4-6-14(7-5-13)17(18(21)22-3)19-16(20)8-9-24-15-10-23-11-15/h4-7,12,15,17H,8-11H2,1-3H3,(H,19,20).
What are the key properties of methyl 2-[3-(oxetan-3-yloxy)propanoylamino]-2-(4-propan-2-ylphenyl)acetate?
methyl 2-[3-(oxetan-3-yloxy)propanoylamino]-2-(4-propan-2-ylphenyl)acetate has a molecular weight of 335.40 g/mol, XLogP of 1.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(oxetan-3-yloxy)propanoylamino]-2-(4-propan-2-ylphenyl)acetate is sourced from PubChem (CID 155957648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).