ethyl 2-[4-[2-(methylamino)propyl]phenoxy]pentanoate

C17H27NO3 — CID 83035105

IUPACethyl 2-[4-[2-(methylamino)propyl]phenoxy]pentanoate
SMILESCCCC(Oc1ccc(CC(C)NC)cc1)C(=O)OCC
InChIInChI=1S/C17H27NO3/c1-5-7-16(17(19)20-6-2)21-15-10-8-14(9-11-15)12-13(3)18-4/h8-11,13,16,18H,5-7,12H2,1-4H3
InChIKeyVIPMBIGGACNMFT-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.95
Rot. Bonds9

About ethyl 2-[4-[2-(methylamino)propyl]phenoxy]pentanoate

ethyl 2-[4-[2-(methylamino)propyl]phenoxy]pentanoate (PubChem CID 83035105) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is ethyl 2-[4-[2-(methylamino)propyl]phenoxy]pentanoate.

Molecular Properties

Compound Nameethyl 2-[4-[2-(methylamino)propyl]phenoxy]pentanoate
PubChem CID83035105
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Nameethyl 2-[4-[2-(methylamino)propyl]phenoxy]pentanoate
SMILESCCCC(Oc1ccc(CC(C)NC)cc1)C(=O)OCC
InChIInChI=1S/C17H27NO3/c1-5-7-16(17(19)20-6-2)21-15-10-8-14(9-11-15)12-13(3)18-4/h8-11,13,16,18H,5-7,12H2,1-4H3
InChIKeyVIPMBIGGACNMFT-UHFFFAOYSA-N
XLogP2.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-[2-(methylamino)propyl]phenoxy]acetate
CID 113322952
ethyl 4-[2-(methylamino)propyl]benzoate
CID 70900098
ethyl 2-[4-[(cyclopropylamino)methyl]phenoxy]pentanoate
CID 83034609
ethyl 2-(4-propylphenoxy)butanoate
CID 64662863
ethyl 3-(4-hydroxyphenyl)-2-(4-methylphenoxy)propanoate
CID 18626029
ethyl (2S)-3-(4-chlorophenyl)-2-(4-propan-2-ylphenoxy)propanoate
CID 125467568
2-[4-[2-(methylamino)propyl]phenoxy]acetamide
CID 115494731
ethyl 2-(4-methylphenoxy)butanoate
CID 64662052
ethyl 2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentanoate
CID 83038168
ethyl 2-(3-ethylphenoxy)pentanoate
CID 83038247
ethyl 2-(4-fluoro-3-methylphenoxy)pentanoate
CID 83037537
methyl 2-(4-chlorophenoxy)pentanoate
CID 15744144

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-(methylamino)propyl]phenoxy]pentanoate?
The IUPAC name of ethyl 2-[4-[2-(methylamino)propyl]phenoxy]pentanoate (CID 83035105) is ethyl 2-[4-[2-(methylamino)propyl]phenoxy]pentanoate.
What is the SMILES notation for ethyl 2-[4-[2-(methylamino)propyl]phenoxy]pentanoate?
The canonical SMILES for ethyl 2-[4-[2-(methylamino)propyl]phenoxy]pentanoate is CCCC(Oc1ccc(CC(C)NC)cc1)C(=O)OCC.
What is the InChIKey of ethyl 2-[4-[2-(methylamino)propyl]phenoxy]pentanoate?
The InChIKey is VIPMBIGGACNMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-7-16(17(19)20-6-2)21-15-10-8-14(9-11-15)12-13(3)18-4/h8-11,13,16,18H,5-7,12H2,1-4H3.
What are the key properties of ethyl 2-[4-[2-(methylamino)propyl]phenoxy]pentanoate?
ethyl 2-[4-[2-(methylamino)propyl]phenoxy]pentanoate has a molecular weight of 293.41 g/mol, XLogP of 2.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[2-(methylamino)propyl]phenoxy]pentanoate is sourced from PubChem (CID 83035105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).