ethyl 4-(2-methoxyphenoxy)-2-(propan-2-ylamino)butanoate

C16H25NO4 — CID 63039911

IUPACethyl 4-(2-methoxyphenoxy)-2-(propan-2-ylamino)butanoate
SMILESCCOC(=O)C(CCOc1ccccc1OC)NC(C)C
InChIInChI=1S/C16H25NO4/c1-5-20-16(18)13(17-12(2)3)10-11-21-15-9-7-6-8-14(15)19-4/h6-9,12-13,17H,5,10-11H2,1-4H3
InChIKeyZDEBREACSJGJCR-UHFFFAOYSA-N
MW295.38 g/mol
LogP2.39
Rot. Bonds9

About ethyl 4-(2-methoxyphenoxy)-2-(propan-2-ylamino)butanoate

ethyl 4-(2-methoxyphenoxy)-2-(propan-2-ylamino)butanoate (PubChem CID 63039911) has the molecular formula C16H25NO4 and a molecular weight of 295.38 g/mol. Its IUPAC name is ethyl 4-(2-methoxyphenoxy)-2-(propan-2-ylamino)butanoate.

Molecular Properties

Compound Nameethyl 4-(2-methoxyphenoxy)-2-(propan-2-ylamino)butanoate
PubChem CID63039911
Molecular FormulaC16H25NO4
Molecular Weight295.38 g/mol
Exact Mass295.18
IUPAC Nameethyl 4-(2-methoxyphenoxy)-2-(propan-2-ylamino)butanoate
SMILESCCOC(=O)C(CCOc1ccccc1OC)NC(C)C
InChIInChI=1S/C16H25NO4/c1-5-20-16(18)13(17-12(2)3)10-11-21-15-9-7-6-8-14(15)19-4/h6-9,12-13,17H,5,10-11H2,1-4H3
InChIKeyZDEBREACSJGJCR-UHFFFAOYSA-N
XLogP2.39
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 4-(2-methoxyphenoxy)-2-(propylamino)butanoate
CID 63041590
2-(ethylamino)-4-(2-methoxyphenoxy)butanoic acid
CID 63041236
4-(2-methoxy-4-methylphenoxy)-2-(propan-2-ylamino)butanoic acid
CID 63039728
ethyl 2-(ethylamino)-4-(2-ethylphenoxy)butanoate
CID 63034432
ethyl 4-(3-fluoro-4-methylphenoxy)-2-(propan-2-ylamino)butanoate
CID 107170470
2-methoxycarbonyl-4-(2-methoxyphenoxy)butanoic acid
CID 103973316
ethyl 4-(4-methoxyphenyl)sulfanyl-2-(propan-2-ylamino)butanoate
CID 63034141
methyl 4-(2,4-dimethylphenoxy)-2-(propan-2-ylamino)butanoate
CID 63039713
4-(2-propoxyphenoxy)butan-2-amine
CID 43118980
methyl 4-(4-methylphenoxy)-2-(propan-2-ylamino)butanoate
CID 55142996
2-(2-methoxyphenoxy)-N-pentan-2-ylacetamide
CID 2957379
methyl 2-(propan-2-ylamino)-4-(2,3,5-trimethylphenoxy)butanoate
CID 63033342

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxyphenoxy)-2-(propan-2-ylamino)butanoate?
The IUPAC name of ethyl 4-(2-methoxyphenoxy)-2-(propan-2-ylamino)butanoate (CID 63039911) is ethyl 4-(2-methoxyphenoxy)-2-(propan-2-ylamino)butanoate.
What is the SMILES notation for ethyl 4-(2-methoxyphenoxy)-2-(propan-2-ylamino)butanoate?
The canonical SMILES for ethyl 4-(2-methoxyphenoxy)-2-(propan-2-ylamino)butanoate is CCOC(=O)C(CCOc1ccccc1OC)NC(C)C.
What is the InChIKey of ethyl 4-(2-methoxyphenoxy)-2-(propan-2-ylamino)butanoate?
The InChIKey is ZDEBREACSJGJCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO4/c1-5-20-16(18)13(17-12(2)3)10-11-21-15-9-7-6-8-14(15)19-4/h6-9,12-13,17H,5,10-11H2,1-4H3.
What are the key properties of ethyl 4-(2-methoxyphenoxy)-2-(propan-2-ylamino)butanoate?
ethyl 4-(2-methoxyphenoxy)-2-(propan-2-ylamino)butanoate has a molecular weight of 295.38 g/mol, XLogP of 2.39, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxyphenoxy)-2-(propan-2-ylamino)butanoate is sourced from PubChem (CID 63039911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).