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

C15H23ClN2O2 — CID 120783163

IUPAC2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCCc1cccc(NC(=O)C(N)C2CCOCC2)c1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-2-11-4-3-5-13(10-11)17-15(18)14(16)12-6-8-19-9-7-12;/h3-5,10,12,14H,2,6-9,16H2,1H3,(H,17,18);1H
InChIKeyBQVJRMKVBDKIGG-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.36
Rot. Bonds4

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

2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride (PubChem CID 120783163) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
PubChem CID120783163
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
SMILESCCc1cccc(NC(=O)C(N)C2CCOCC2)c1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-2-11-4-3-5-13(10-11)17-15(18)14(16)12-6-8-19-9-7-12;/h3-5,10,12,14H,2,6-9,16H2,1H3,(H,17,18);1H
InChIKeyBQVJRMKVBDKIGG-UHFFFAOYSA-N
XLogP2.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-2-amino-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782773
2-amino-N-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide;trihydrochloride
CID 120801639
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120782660
2-amino-2-(oxan-4-yl)-N-(3-propoxyphenyl)acetamide;hydrochloride
CID 120786651
2-amino-N-[3-(tert-butylsulfamoylmethyl)phenyl]-2-(oxan-4-yl)acetamide
CID 120789988
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-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]phenyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120801241
2-amino-2-(oxan-4-yl)-N-[3-(propylsulfonylamino)phenyl]acetamide
CID 120794168
2-amino-2-(oxan-4-yl)-N-[3-(2-phenylethoxymethyl)phenyl]acetamide
CID 120790252
2-amino-2-(oxan-4-yl)-N-[3-(2-phenoxyethoxymethyl)phenyl]acetamide;hydrochloride
CID 120787393
N-[3-[[[2-amino-2-(oxan-4-yl)acetyl]amino]methyl]phenyl]pyridine-4-carboxamide;dihydrochloride
CID 120798865

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride?
The IUPAC name of 2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride (CID 120783163) is 2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride is CCc1cccc(NC(=O)C(N)C2CCOCC2)c1.Cl.
What is the InChIKey of 2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride?
The InChIKey is BQVJRMKVBDKIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-2-11-4-3-5-13(10-11)17-15(18)14(16)12-6-8-19-9-7-12;/h3-5,10,12,14H,2,6-9,16H2,1H3,(H,17,18);1H.
What are the key properties of 2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride?
2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 120783163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).