ethyl 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetate

C16H23NO5 — CID 15429168

IUPACethyl 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(NC(=O)OC(C)(C)C)c(C)c1
InChIInChI=1S/C16H23NO5/c1-6-20-14(18)10-21-12-7-8-13(11(2)9-12)17-15(19)22-16(3,4)5/h7-9H,6,10H2,1-5H3,(H,17,19)
InChIKeyKGHXBAFBJYJRDN-UHFFFAOYSA-N
MW309.36 g/mol
LogP3.28
Rot. Bonds5

About ethyl 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetate

ethyl 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetate (PubChem CID 15429168) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is ethyl 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetate
PubChem CID15429168
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Nameethyl 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetate
SMILESCCOC(=O)COc1ccc(NC(=O)OC(C)(C)C)c(C)c1
InChIInChI=1S/C16H23NO5/c1-6-20-14(18)10-21-12-7-8-13(11(2)9-12)17-15(19)22-16(3,4)5/h7-9H,6,10H2,1-5H3,(H,17,19)
InChIKeyKGHXBAFBJYJRDN-UHFFFAOYSA-N
XLogP3.28
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(4-butoxy-2-methylphenyl)carbamate
CID 140675962
tert-butyl N-(5-ethoxy-2-methylphenyl)carbamate
CID 69096726
tert-butyl 4-[4-[[4-(2-ethoxy-2-oxoethoxy)-2-methylphenyl]carbamoyl]phenyl]piperidine-1-carboxylate
CID 54088694
ethyl 2-(4-amino-3-methylphenoxy)acetate;hydrochloride
CID 70346506
[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] methanesulfonate
CID 25147172
ethyl 2-[3-hydroxy-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]phenoxy]acetate
CID 67247207
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-nitrophenoxy]acetate
CID 139995177
ethyl 2-(3,4,5-trimethylphenoxy)acetate
CID 141147627
tert-butyl 2-[3-amino-4-(methylamino)phenoxy]acetate
CID 171627438
tert-butyl N-(4-iodo-2-methylphenyl)carbamate
CID 23074904
[2-(2,4-dimethylanilino)-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate
CID 7855552
tert-butyl N-[4-[(2,3-diamino-4-pyridinyl)oxy]-2-methylphenyl]carbamate
CID 155586465

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetate?
The IUPAC name of ethyl 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetate (CID 15429168) is ethyl 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetate.
What is the SMILES notation for ethyl 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetate?
The canonical SMILES for ethyl 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetate is CCOC(=O)COc1ccc(NC(=O)OC(C)(C)C)c(C)c1.
What is the InChIKey of ethyl 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetate?
The InChIKey is KGHXBAFBJYJRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO5/c1-6-20-14(18)10-21-12-7-8-13(11(2)9-12)17-15(19)22-16(3,4)5/h7-9H,6,10H2,1-5H3,(H,17,19).
What are the key properties of ethyl 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetate?
ethyl 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetate has a molecular weight of 309.36 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]acetate is sourced from PubChem (CID 15429168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).