methyl 2-(ethylamino)-4-(oxetan-3-yloxy)-2-phenylbutanoate

C16H23NO4 — CID 102607628

IUPACmethyl 2-(ethylamino)-4-(oxetan-3-yloxy)-2-phenylbutanoate
SMILESCCNC(CCOC1COC1)(C(=O)OC)c1ccccc1
InChIInChI=1S/C16H23NO4/c1-3-17-16(15(18)19-2,13-7-5-4-6-8-13)9-10-21-14-11-20-12-14/h4-8,14,17H,3,9-12H2,1-2H3
InChIKeyDKHQOEMKLOMIMH-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.47
Rot. Bonds8

About methyl 2-(ethylamino)-4-(oxetan-3-yloxy)-2-phenylbutanoate

methyl 2-(ethylamino)-4-(oxetan-3-yloxy)-2-phenylbutanoate (PubChem CID 102607628) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 2-(ethylamino)-4-(oxetan-3-yloxy)-2-phenylbutanoate.

Molecular Properties

Compound Namemethyl 2-(ethylamino)-4-(oxetan-3-yloxy)-2-phenylbutanoate
PubChem CID102607628
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Namemethyl 2-(ethylamino)-4-(oxetan-3-yloxy)-2-phenylbutanoate
SMILESCCNC(CCOC1COC1)(C(=O)OC)c1ccccc1
InChIInChI=1S/C16H23NO4/c1-3-17-16(15(18)19-2,13-7-5-4-6-8-13)9-10-21-14-11-20-12-14/h4-8,14,17H,3,9-12H2,1-2H3
InChIKeyDKHQOEMKLOMIMH-UHFFFAOYSA-N
XLogP1.47
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopentyloxy-2-(ethylamino)-2-phenylbutanoic acid
CID 116694243
4-(oxetan-3-yloxy)-2-phenyl-2-(propan-2-ylamino)butanamide
CID 102607453
methyl 2-(ethylamino)-2-methyl-4-(oxetan-3-yloxy)butanoate
CID 102607468
3-(oxetan-3-yloxy)-2-phenyl-2-(propylamino)propanoic acid
CID 102607406
methyl 2-(methylamino)-3-(oxolan-3-yloxy)-2-phenylpropanoate
CID 63557499
methyl 2-(methylamino)-3-(oxetan-3-ylsulfanyl)-2-phenylpropanoate
CID 79326571
methyl 2-(ethylamino)-4-(1-hydroxypropan-2-ylsulfanyl)-2-phenylbutanoate
CID 116694848
3-cyclobutyloxy-2-(ethylamino)-2-phenylpropanoic acid
CID 62140295
methyl 2-phenyl-2-(prop-2-ynylamino)pentanoate
CID 62364955
2-(ethylamino)-4-methyl-2-phenylpentanoic acid
CID 43753793
2-ethyl-2-(ethylamino)-5-(oxetan-3-yloxy)pentanoic acid
CID 106807173
methyl 4-methoxy-2-phenyl-2-(propan-2-ylamino)butanoate
CID 116694272

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethylamino)-4-(oxetan-3-yloxy)-2-phenylbutanoate?
The IUPAC name of methyl 2-(ethylamino)-4-(oxetan-3-yloxy)-2-phenylbutanoate (CID 102607628) is methyl 2-(ethylamino)-4-(oxetan-3-yloxy)-2-phenylbutanoate.
What is the SMILES notation for methyl 2-(ethylamino)-4-(oxetan-3-yloxy)-2-phenylbutanoate?
The canonical SMILES for methyl 2-(ethylamino)-4-(oxetan-3-yloxy)-2-phenylbutanoate is CCNC(CCOC1COC1)(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-(ethylamino)-4-(oxetan-3-yloxy)-2-phenylbutanoate?
The InChIKey is DKHQOEMKLOMIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-3-17-16(15(18)19-2,13-7-5-4-6-8-13)9-10-21-14-11-20-12-14/h4-8,14,17H,3,9-12H2,1-2H3.
What are the key properties of methyl 2-(ethylamino)-4-(oxetan-3-yloxy)-2-phenylbutanoate?
methyl 2-(ethylamino)-4-(oxetan-3-yloxy)-2-phenylbutanoate has a molecular weight of 293.36 g/mol, XLogP of 1.47, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethylamino)-4-(oxetan-3-yloxy)-2-phenylbutanoate is sourced from PubChem (CID 102607628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).