ethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate

C16H25NO3 — CID 115495172

IUPACethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate
SMILESCCCNC(C)Cc1ccc(OCC(=O)OCC)cc1
InChIInChI=1S/C16H25NO3/c1-4-10-17-13(3)11-14-6-8-15(9-7-14)20-12-16(18)19-5-2/h6-9,13,17H,4-5,10-12H2,1-3H3
InChIKeyDVBLDYSARPHOQP-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.56
Rot. Bonds9

About ethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate

ethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate (PubChem CID 115495172) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is ethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate
PubChem CID115495172
Molecular FormulaC16H25NO3
Molecular Weight279.38 g/mol
Exact Mass279.18
IUPAC Nameethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate
SMILESCCCNC(C)Cc1ccc(OCC(=O)OCC)cc1
InChIInChI=1S/C16H25NO3/c1-4-10-17-13(3)11-14-6-8-15(9-7-14)20-12-16(18)19-5-2/h6-9,13,17H,4-5,10-12H2,1-3H3
InChIKeyDVBLDYSARPHOQP-UHFFFAOYSA-N
XLogP2.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-[2-(ethylamino)propyl]phenoxy]acetate
CID 115494998
ethyl 2-[4-[2-(methylamino)propyl]phenoxy]acetate
CID 113322952
methyl 3-[4-[2-(propylamino)propyl]phenoxy]propanoate
CID 115495159
2-[4-[2-(ethylamino)propyl]phenoxy]-N-propylacetamide
CID 115495042
ethyl 2-[4-[2-(benzenesulfonamido)propyl]phenoxy]acetate
CID 14579356
1-[4-(2,2-difluoroethoxy)phenyl]-N-propylpropan-2-amine
CID 115495220
1-[4-(2-ethylsulfonylethoxy)phenyl]-N-propylpropan-2-amine
CID 115495201
ethyl 4-[1-(4-hydroxyphenyl)propan-2-ylamino]butanoate
CID 115494377
ethyl 2-[4-[(2R)-2-[[(6R)-6-ethyl-1-hydroxycyclohexa-2,4-dien-1-yl]amino]propyl]phenoxy]acetate
CID 67933158
propyl 2-[4-(2-ethoxy-2-oxoethoxy)phenyl]acetate
CID 14856730
1-[4-[2-(2-methylpropoxy)ethoxy]phenyl]-N-propylpropan-2-amine
CID 106450542
ethyl 4-(4-methylphenyl)-3-(propylamino)butanoate
CID 82351699

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate?
The IUPAC name of ethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate (CID 115495172) is ethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate?
The canonical SMILES for ethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate is CCCNC(C)Cc1ccc(OCC(=O)OCC)cc1.
What is the InChIKey of ethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate?
The InChIKey is DVBLDYSARPHOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-4-10-17-13(3)11-14-6-8-15(9-7-14)20-12-16(18)19-5-2/h6-9,13,17H,4-5,10-12H2,1-3H3.
What are the key properties of ethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate?
ethyl 2-[4-[2-(propylamino)propyl]phenoxy]acetate has a molecular weight of 279.38 g/mol, XLogP of 2.56, 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-(propylamino)propyl]phenoxy]acetate is sourced from PubChem (CID 115495172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).