2-amino-N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide;hydrochloride

C15H23ClN2O4 — CID 120782987

IUPAC2-amino-N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCOc1cc(NC(=O)C(N)C2CCOCC2)cc(OC)c1.Cl
InChIInChI=1S/C15H22N2O4.ClH/c1-19-12-7-11(8-13(9-12)20-2)17-15(18)14(16)10-3-5-21-6-4-10;/h7-10,14H,3-6,16H2,1-2H3,(H,17,18);1H
InChIKeyXCVLVRAXWDGMIR-UHFFFAOYSA-N
MW330.81 g/mol
LogP1.82
Rot. Bonds5

About 2-amino-N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide;hydrochloride

2-amino-N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120782987) has the molecular formula C15H23ClN2O4 and a molecular weight of 330.81 g/mol. Its IUPAC name is 2-amino-N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120782987
Molecular FormulaC15H23ClN2O4
Molecular Weight330.81 g/mol
Exact Mass330.13
IUPAC Name2-amino-N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCOc1cc(NC(=O)C(N)C2CCOCC2)cc(OC)c1.Cl
InChIInChI=1S/C15H22N2O4.ClH/c1-19-12-7-11(8-13(9-12)20-2)17-15(18)14(16)10-3-5-21-6-4-10;/h7-10,14H,3-6,16H2,1-2H3,(H,17,18);1H
InChIKeyXCVLVRAXWDGMIR-UHFFFAOYSA-N
XLogP1.82
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride
CID 120782841
2-amino-N-(3-bromo-5-propan-2-yloxyphenyl)-2-(oxan-4-yl)acetamide
CID 120796352
2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120801081
2-amino-N-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)acetamide
CID 120791756
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride
CID 120786651
2-amino-N-(3,5-difluoro-4-trimethylsilylphenyl)-2-(oxan-4-yl)acetamide
CID 140781478
2-amino-N-(5-methyl-3-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800459
2-amino-N-[2-(4-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782919
methyl 3-[[2-amino-2-(oxan-4-yl)acetyl]amino]-5-methylsulfonylbenzoate
CID 120795956
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide
CID 91918174

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide;hydrochloride (CID 120782987) is 2-amino-N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide;hydrochloride is COc1cc(NC(=O)C(N)C2CCOCC2)cc(OC)c1.Cl.
What is the InChIKey of 2-amino-N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is XCVLVRAXWDGMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4.ClH/c1-19-12-7-11(8-13(9-12)20-2)17-15(18)14(16)10-3-5-21-6-4-10;/h7-10,14H,3-6,16H2,1-2H3,(H,17,18);1H.
What are the key properties of 2-amino-N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 330.81 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120782987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).