methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate

C17H24N2O5 — CID 120793432

IUPACmethyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(CNC(=O)C(N)C2CCOCC2)c1
InChIInChI=1S/C17H24N2O5/c1-22-15(20)11-24-14-4-2-3-12(9-14)10-19-17(21)16(18)13-5-7-23-8-6-13/h2-4,9,13,16H,5-8,10-11,18H2,1H3,(H,19,21)
InChIKeyMJDIGKTWXJZLIH-UHFFFAOYSA-N
MW336.39 g/mol
LogP0.61
Rot. Bonds7

About methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate

methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate (PubChem CID 120793432) has the molecular formula C17H24N2O5 and a molecular weight of 336.39 g/mol. Its IUPAC name is methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate
PubChem CID120793432
Molecular FormulaC17H24N2O5
Molecular Weight336.39 g/mol
Exact Mass336.17
IUPAC Namemethyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate
SMILESCOC(=O)COc1cccc(CNC(=O)C(N)C2CCOCC2)c1
InChIInChI=1S/C17H24N2O5/c1-22-15(20)11-24-14-4-2-3-12(9-14)10-19-17(21)16(18)13-5-7-23-8-6-13/h2-4,9,13,16H,5-8,10-11,18H2,1H3,(H,19,21)
InChIKeyMJDIGKTWXJZLIH-UHFFFAOYSA-N
XLogP0.61
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate;hydrochloride
CID 120793431
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120789950
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789949
2-amino-N-[[3-(2,2-difluoroethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120791700
2-amino-N-[[3-(2-morpholin-4-ylethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120799134
2-amino-N-[[3-(dimethylamino)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120797734
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
2-amino-N-[(3-fluorophenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785705
methyl 2-[3-[[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]methyl]phenoxy]acetate;hydrochloride
CID 119787116
2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide
CID 120797996
2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 120786406
2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120792906

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate?
The IUPAC name of methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate (CID 120793432) is methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate?
The canonical SMILES for methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate is COC(=O)COc1cccc(CNC(=O)C(N)C2CCOCC2)c1.
What is the InChIKey of methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate?
The InChIKey is MJDIGKTWXJZLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5/c1-22-15(20)11-24-14-4-2-3-12(9-14)10-19-17(21)16(18)13-5-7-23-8-6-13/h2-4,9,13,16H,5-8,10-11,18H2,1H3,(H,19,21).
What are the key properties of methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate?
methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate has a molecular weight of 336.39 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate is sourced from PubChem (CID 120793432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).