ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate

C16H25NO2 — CID 62028710

IUPACethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(Cc1ccc(CC)cc1)C(C)C
InChIInChI=1S/C16H25NO2/c1-5-14-7-9-15(10-8-14)11-17(13(3)4)12-16(18)19-6-2/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyUDOWNAOJAZJGFX-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.02
Rot. Bonds7

About ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate

ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate (PubChem CID 62028710) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate
PubChem CID62028710
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Nameethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(Cc1ccc(CC)cc1)C(C)C
InChIInChI=1S/C16H25NO2/c1-5-14-7-9-15(10-8-14)11-17(13(3)4)12-16(18)19-6-2/h7-10,13H,5-6,11-12H2,1-4H3
InChIKeyUDOWNAOJAZJGFX-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[propan-2-yl(pyridin-4-ylmethyl)amino]acetate
CID 62026995
ethyl 2-[propan-2-yl(thiophen-3-ylmethyl)amino]acetate
CID 62027010
ethyl 2-[(3-chlorophenyl)methyl-propan-2-ylamino]acetate
CID 60775299
ethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate
CID 60965797
ethyl 2-[benzyl(1-methoxypropan-2-yl)amino]acetate
CID 79006267
ethyl 2-[(3-methyl-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 112550243
2-[benzyl-(2-ethoxy-2-oxoethyl)amino]butanoic acid
CID 115536693
ethyl 2-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]acetate
CID 63985132
ethyl 3-[benzyl-(2-methoxy-2-oxoethyl)amino]butanoate
CID 18379207
ethyl 2-[propan-2-yl(quinolin-2-ylmethyl)amino]acetate
CID 62027380
ethyl 2-[(7-chloro-1,3-benzodioxol-5-yl)methyl-propan-2-ylamino]acetate
CID 62027762
ethyl 2-[[2-(aminomethyl)-3-pyridinyl]methyl-propan-2-ylamino]acetate
CID 63383170

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate (CID 62028710) is ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate is CCOC(=O)CN(Cc1ccc(CC)cc1)C(C)C.
What is the InChIKey of ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate?
The InChIKey is UDOWNAOJAZJGFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-14-7-9-15(10-8-14)11-17(13(3)4)12-16(18)19-6-2/h7-10,13H,5-6,11-12H2,1-4H3.
What are the key properties of ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate?
ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate has a molecular weight of 263.38 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate is sourced from PubChem (CID 62028710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).