(5-ethylthiophen-2-yl)methyl 3-(3-aminophenoxy)propanoate

C16H19NO3S — CID 61316761

IUPAC(5-ethylthiophen-2-yl)methyl 3-(3-aminophenoxy)propanoate
SMILESCCc1ccc(COC(=O)CCOc2cccc(N)c2)s1
InChIInChI=1S/C16H19NO3S/c1-2-14-6-7-15(21-14)11-20-16(18)8-9-19-13-5-3-4-12(17)10-13/h3-7,10H,2,8-9,11,17H2,1H3
InChIKeyQOWXAOQVMRWLRT-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.40
Rot. Bonds7

About (5-ethylthiophen-2-yl)methyl 3-(3-aminophenoxy)propanoate

(5-ethylthiophen-2-yl)methyl 3-(3-aminophenoxy)propanoate (PubChem CID 61316761) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is (5-ethylthiophen-2-yl)methyl 3-(3-aminophenoxy)propanoate.

Molecular Properties

Compound Name(5-ethylthiophen-2-yl)methyl 3-(3-aminophenoxy)propanoate
PubChem CID61316761
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name(5-ethylthiophen-2-yl)methyl 3-(3-aminophenoxy)propanoate
SMILESCCc1ccc(COC(=O)CCOc2cccc(N)c2)s1
InChIInChI=1S/C16H19NO3S/c1-2-14-6-7-15(21-14)11-20-16(18)8-9-19-13-5-3-4-12(17)10-13/h3-7,10H,2,8-9,11,17H2,1H3
InChIKeyQOWXAOQVMRWLRT-UHFFFAOYSA-N
XLogP3.40
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl 3-(3-aminophenoxy)propanoate
CID 55136295
3,3,3-trifluoropropyl 3-(3-aminophenoxy)propanoate
CID 64565534
2-fluoroethyl 3-(3-aminophenoxy)propanoate
CID 80694480
3-ethoxypropyl 3-(3-aminophenoxy)propanoate
CID 65181006
2-methylbutyl 3-(3-aminophenoxy)propanoate
CID 62103864
[2-(ethylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate
CID 61315233
pyridin-3-ylmethyl 3-(3-aminophenoxy)propanoate
CID 61315802
cyclopropylmethyl 3-(3-aminophenoxy)propanoate
CID 61309800
2-(2-methylpropoxy)ethyl 3-(3-aminophenoxy)propanoate
CID 106448500
ethyl 3-(3-hydroxyphenoxy)propanoate
CID 156769963
(5-bromo-3-pyridinyl)methyl 3-(3-aminophenoxy)propanoate
CID 104808427
2-pyridin-2-ylethyl 3-(3-aminophenoxy)propanoate
CID 61315045

Frequently Asked Questions

What is the IUPAC name of (5-ethylthiophen-2-yl)methyl 3-(3-aminophenoxy)propanoate?
The IUPAC name of (5-ethylthiophen-2-yl)methyl 3-(3-aminophenoxy)propanoate (CID 61316761) is (5-ethylthiophen-2-yl)methyl 3-(3-aminophenoxy)propanoate.
What is the SMILES notation for (5-ethylthiophen-2-yl)methyl 3-(3-aminophenoxy)propanoate?
The canonical SMILES for (5-ethylthiophen-2-yl)methyl 3-(3-aminophenoxy)propanoate is CCc1ccc(COC(=O)CCOc2cccc(N)c2)s1.
What is the InChIKey of (5-ethylthiophen-2-yl)methyl 3-(3-aminophenoxy)propanoate?
The InChIKey is QOWXAOQVMRWLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-2-14-6-7-15(21-14)11-20-16(18)8-9-19-13-5-3-4-12(17)10-13/h3-7,10H,2,8-9,11,17H2,1H3.
What are the key properties of (5-ethylthiophen-2-yl)methyl 3-(3-aminophenoxy)propanoate?
(5-ethylthiophen-2-yl)methyl 3-(3-aminophenoxy)propanoate has a molecular weight of 305.40 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethylthiophen-2-yl)methyl 3-(3-aminophenoxy)propanoate is sourced from PubChem (CID 61316761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).