2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide

C14H20N2O2 — CID 120782660

IUPAC2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
SMILESCc1cccc(NC(=O)C(N)C2CCOCC2)c1
InChIInChI=1S/C14H20N2O2/c1-10-3-2-4-12(9-10)16-14(17)13(15)11-5-7-18-8-6-11/h2-4,9,11,13H,5-8,15H2,1H3,(H,16,17)
InChIKeyMFSUATAVTCWAMZ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.69
Rot. Bonds3

About 2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide

2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide (PubChem CID 120782660) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
PubChem CID120782660
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide
SMILESCc1cccc(NC(=O)C(N)C2CCOCC2)c1
InChIInChI=1S/C14H20N2O2/c1-10-3-2-4-12(9-10)16-14(17)13(15)11-5-7-18-8-6-11/h2-4,9,11,13H,5-8,15H2,1H3,(H,16,17)
InChIKeyMFSUATAVTCWAMZ-UHFFFAOYSA-N
XLogP1.69
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.69
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-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-ethylphenyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120783163
2-amino-N-(5-methyl-3-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800459
2-amino-N-(3-iodo-4-methylphenyl)-2-(oxan-4-yl)acetamide
CID 120783594
2-amino-N-[3-(1,3-dithiolan-2-yl)phenyl]-2-(oxan-4-yl)acetamide
CID 120784582
2-amino-N-(2,5-dimethylphenyl)-2-(oxan-4-yl)acetamide
CID 120782547
2-amino-2-(oxan-4-yl)-N-[3-(propylsulfonylamino)phenyl]acetamide
CID 120794168
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
N-(3-methylphenyl)-2-[1-(oxan-4-yl)ethylamino]acetamide
CID 84598905

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide (CID 120782660) is 2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide is Cc1cccc(NC(=O)C(N)C2CCOCC2)c1.
What is the InChIKey of 2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide?
The InChIKey is MFSUATAVTCWAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10-3-2-4-12(9-10)16-14(17)13(15)11-5-7-18-8-6-11/h2-4,9,11,13H,5-8,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide?
2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide has a molecular weight of 248.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methylphenyl)-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120782660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).