ethyl 2-[3-(tert-butylcarbamoylamino)phenoxy]acetate

C15H22N2O4 — CID 60970804

IUPACethyl 2-[3-(tert-butylcarbamoylamino)phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)NC(C)(C)C)c1
InChIInChI=1S/C15H22N2O4/c1-5-20-13(18)10-21-12-8-6-7-11(9-12)16-14(19)17-15(2,3)4/h6-9H,5,10H2,1-4H3,(H2,16,17,19)
InChIKeyIFZJXXVHHDUQCF-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.55
Rot. Bonds5

About ethyl 2-[3-(tert-butylcarbamoylamino)phenoxy]acetate

ethyl 2-[3-(tert-butylcarbamoylamino)phenoxy]acetate (PubChem CID 60970804) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 2-[3-(tert-butylcarbamoylamino)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(tert-butylcarbamoylamino)phenoxy]acetate
PubChem CID60970804
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nameethyl 2-[3-(tert-butylcarbamoylamino)phenoxy]acetate
SMILESCCOC(=O)COc1cccc(NC(=O)NC(C)(C)C)c1
InChIInChI=1S/C15H22N2O4/c1-5-20-13(18)10-21-12-8-6-7-11(9-12)16-14(19)17-15(2,3)4/h6-9H,5,10H2,1-4H3,(H2,16,17,19)
InChIKeyIFZJXXVHHDUQCF-UHFFFAOYSA-N
XLogP2.55
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(tert-butylcarbamoylamino)phenoxy]acetic acid
CID 61057848
ethyl 2-[3-(but-2-ynoylamino)phenoxy]acetate
CID 107991028
ethyl 2-[3-[[ethyl(methyl)carbamoyl]amino]phenoxy]acetate
CID 78917130
1-(3-ethoxyphenyl)-3-(4-hydroxy-2-methylbutan-2-yl)urea
CID 75424341
ethyl 2-[3-(methanesulfonamido)phenoxy]acetate
CID 60749083
ethyl 2-[3-[(2-fluorobenzoyl)amino]phenoxy]acetate
CID 39269783
ethyl 2-[3-[(2-naphthalen-1-ylacetyl)amino]phenoxy]acetate
CID 39269822
[2-(tert-butylamino)-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8910462
ethyl 2-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]phenoxy]acetate
CID 39269639
butyl 2-(3-acetamidophenoxy)acetate
CID 54941709
methyl 2-[3-[(2-amino-2-methylpropanoyl)amino]phenoxy]acetate;hydrochloride
CID 119284132
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(tert-butylcarbamoylamino)phenoxy]acetate?
The IUPAC name of ethyl 2-[3-(tert-butylcarbamoylamino)phenoxy]acetate (CID 60970804) is ethyl 2-[3-(tert-butylcarbamoylamino)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-(tert-butylcarbamoylamino)phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-(tert-butylcarbamoylamino)phenoxy]acetate is CCOC(=O)COc1cccc(NC(=O)NC(C)(C)C)c1.
What is the InChIKey of ethyl 2-[3-(tert-butylcarbamoylamino)phenoxy]acetate?
The InChIKey is IFZJXXVHHDUQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-5-20-13(18)10-21-12-8-6-7-11(9-12)16-14(19)17-15(2,3)4/h6-9H,5,10H2,1-4H3,(H2,16,17,19).
What are the key properties of ethyl 2-[3-(tert-butylcarbamoylamino)phenoxy]acetate?
ethyl 2-[3-(tert-butylcarbamoylamino)phenoxy]acetate has a molecular weight of 294.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(tert-butylcarbamoylamino)phenoxy]acetate is sourced from PubChem (CID 60970804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).