methyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate

C15H21NO4 — CID 47096345

IUPACmethyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H21NO4/c1-15(2,3)16-13(17)10-20-12-7-5-11(6-8-12)9-14(18)19-4/h5-8H,9-10H2,1-4H3,(H,16,17)
InChIKeyOPRMGLGFKQJXIW-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.70
Rot. Bonds5

About methyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate

methyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate (PubChem CID 47096345) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate
PubChem CID47096345
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C15H21NO4/c1-15(2,3)16-13(17)10-20-12-7-5-11(6-8-12)9-14(18)19-4/h5-8H,9-10H2,1-4H3,(H,16,17)
InChIKeyOPRMGLGFKQJXIW-UHFFFAOYSA-N
XLogP1.70
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-(4-ethylphenoxy)acetamide
CID 807221
methyl 2-[4-[2-(4-tert-butylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695156
2-[4-(2-aminopropyl)phenoxy]-N-tert-butylacetamide
CID 54930613
methyl 2-[4-[2-(butylamino)-2-oxoethoxy]phenyl]acetate
CID 112786526
methyl 2-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]acetate
CID 7695236
4-[[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]methylamino]benzoic acid
CID 66525531
N-tert-butyl-2-[4-[(4-fluoroanilino)methyl]phenoxy]acetamide
CID 66525538
N-tert-butyl-2-[4-[[3-(ethylamino)propylamino]methyl]phenoxy]acetamide
CID 17215562
methyl 2-[4-[2-(4-acetylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695234
methyl 2-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]acetate
CID 7695186
methyl 2-[4-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethoxy]phenyl]acetate
CID 94014472
methyl 2-[4-[2-(4-carbamoylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695222

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate?
The IUPAC name of methyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate (CID 47096345) is methyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate is COC(=O)Cc1ccc(OCC(=O)NC(C)(C)C)cc1.
What is the InChIKey of methyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate?
The InChIKey is OPRMGLGFKQJXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-15(2,3)16-13(17)10-20-12-7-5-11(6-8-12)9-14(18)19-4/h5-8H,9-10H2,1-4H3,(H,16,17).
What are the key properties of methyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate?
methyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate has a molecular weight of 279.34 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-(tert-butylamino)-2-oxoethoxy]phenyl]acetate is sourced from PubChem (CID 47096345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).