2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride

C16H25ClN2O3 — CID 120786651

IUPAC2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride
SMILESCCCOc1cccc(NC(=O)C(N)C2CCOCC2)c1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-2-8-21-14-5-3-4-13(11-14)18-16(19)15(17)12-6-9-20-10-7-12;/h3-5,11-12,15H,2,6-10,17H2,1H3,(H,18,19);1H
InChIKeyZMWZXUFOWHPQPA-UHFFFAOYSA-N
MW328.84 g/mol
LogP2.59
Rot. Bonds6

About 2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride

2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride (PubChem CID 120786651) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride
PubChem CID120786651
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride
SMILESCCCOc1cccc(NC(=O)C(N)C2CCOCC2)c1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-2-8-21-14-5-3-4-13(11-14)18-16(19)15(17)12-6-9-20-10-7-12;/h3-5,11-12,15H,2,6-10,17H2,1H3,(H,18,19);1H
InChIKeyZMWZXUFOWHPQPA-UHFFFAOYSA-N
XLogP2.59
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(oxan-4-yl)-N-[3-[2-(1,2,4-triazol-1-yl)ethoxy]phenyl]acetamide;dihydrochloride
CID 120798729
2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783163
N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
2-amino-2-(oxan-4-yl)-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide;hydrochloride
CID 120787393
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
3-amino-4-oxo-4-(3-propoxyanilino)butanoic acid
CID 64894519
2-amino-2-(oxan-4-yl)-N-[3-(propylsulfonylamino)phenyl]acetamide
CID 120794168
2-amino-2-(oxan-4-yl)-N-(3-pyridazin-3-yloxyphenyl)acetamide;dihydrochloride
CID 120801133
2-amino-2-(oxan-4-yl)-N-(3-pyrazin-2-yloxyphenyl)acetamide
CID 120787142
2-amino-2-(oxan-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 120784140
2-amino-N-(3-chlorophenyl)-2-(oxan-4-yl)acetamide
CID 120782718
2-amino-N-(3,5-dimethoxyphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782987

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride (CID 120786651) is 2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride is CCCOc1cccc(NC(=O)C(N)C2CCOCC2)c1.Cl.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride?
The InChIKey is ZMWZXUFOWHPQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-2-8-21-14-5-3-4-13(11-14)18-16(19)15(17)12-6-9-20-10-7-12;/h3-5,11-12,15H,2,6-10,17H2,1H3,(H,18,19);1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride?
2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 120786651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).