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

C17H25ClN2O5 — CID 120793431

IUPACmethyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate;hydrochloride
SMILESCOC(=O)COc1cccc(CNC(=O)C(N)C2CCOCC2)c1.Cl
InChIInChI=1S/C17H24N2O5.ClH/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);1H
InChIKeyLAYMZPMHFQKSSL-UHFFFAOYSA-N
MW372.85 g/mol
LogP1.03
Rot. Bonds7

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

methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate;hydrochloride (PubChem CID 120793431) has the molecular formula C17H25ClN2O5 and a molecular weight of 372.85 g/mol. Its IUPAC name is methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate;hydrochloride
PubChem CID120793431
Molecular FormulaC17H25ClN2O5
Molecular Weight372.85 g/mol
Exact Mass372.15
IUPAC Namemethyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate;hydrochloride
SMILESCOC(=O)COc1cccc(CNC(=O)C(N)C2CCOCC2)c1.Cl
InChIInChI=1S/C17H24N2O5.ClH/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);1H
InChIKeyLAYMZPMHFQKSSL-UHFFFAOYSA-N
XLogP1.03
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 51.03
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
CID 120793432
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789949
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120789950
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-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-[[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-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide
CID 120797996
2-amino-N-[(3-methoxy-4-propoxyphenyl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120786627
2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 120786406

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate;hydrochloride?
The IUPAC name of methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate;hydrochloride (CID 120793431) is methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate;hydrochloride?
The canonical SMILES for methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate;hydrochloride is COC(=O)COc1cccc(CNC(=O)C(N)C2CCOCC2)c1.Cl.
What is the InChIKey of methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate;hydrochloride?
The InChIKey is LAYMZPMHFQKSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O5.ClH/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);1H.
What are the key properties of methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate;hydrochloride?
methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate;hydrochloride has a molecular weight of 372.85 g/mol, XLogP of 1.03, 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;hydrochloride is sourced from PubChem (CID 120793431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).