2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride

C18H29ClN2O3 — CID 120789949

IUPAC2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCC(C)COc1cccc(CNC(=O)C(N)C2CCOCC2)c1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-13(2)12-23-16-5-3-4-14(10-16)11-20-18(21)17(19)15-6-8-22-9-7-15;/h3-5,10,13,15,17H,6-9,11-12,19H2,1-2H3,(H,20,21);1H
InChIKeyORGXKSQWURGTNP-UHFFFAOYSA-N
MW356.89 g/mol
LogP2.51
Rot. Bonds7

About 2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120789949) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is 2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120789949
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC Name2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCC(C)COc1cccc(CNC(=O)C(N)C2CCOCC2)c1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-13(2)12-23-16-5-3-4-14(10-16)11-20-18(21)17(19)15-6-8-22-9-7-15;/h3-5,10,13,15,17H,6-9,11-12,19H2,1-2H3,(H,20,21);1H
InChIKeyORGXKSQWURGTNP-UHFFFAOYSA-N
XLogP2.51
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate;hydrochloride
CID 120793431
methyl 2-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenoxy]acetate
CID 120793432
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
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-(2-methylpropoxy)phenyl]methyl]pentanamide
CID 119304653
2-amino-2-(oxan-4-yl)-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 120786406
2-amino-N-[1-(3-methoxyphenyl)propan-2-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120793315
2-amino-N-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2-(oxan-4-yl)acetamide
CID 120797996

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride (CID 120789949) is 2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride is CC(C)COc1cccc(CNC(=O)C(N)C2CCOCC2)c1.Cl.
What is the InChIKey of 2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is ORGXKSQWURGTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-13(2)12-23-16-5-3-4-14(10-16)11-20-18(21)17(19)15-6-8-22-9-7-15;/h3-5,10,13,15,17H,6-9,11-12,19H2,1-2H3,(H,20,21);1H.
What are the key properties of 2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[3-(2-methylpropoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120789949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).