2-amino-N-[2-(3,5-dimethylphenyl)ethyl]-2-(oxan-4-yl)acetamide

C17H26N2O2 — CID 120794628

IUPAC2-amino-N-[2-(3,5-dimethylphenyl)ethyl]-2-(oxan-4-yl)acetamide
SMILESCc1cc(C)cc(CCNC(=O)C(N)C2CCOCC2)c1
InChIInChI=1S/C17H26N2O2/c1-12-9-13(2)11-14(10-12)3-6-19-17(20)16(18)15-4-7-21-8-5-15/h9-11,15-16H,3-8,18H2,1-2H3,(H,19,20)
InChIKeyWUFFHZILCHRBQV-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.72
Rot. Bonds5

About 2-amino-N-[2-(3,5-dimethylphenyl)ethyl]-2-(oxan-4-yl)acetamide

2-amino-N-[2-(3,5-dimethylphenyl)ethyl]-2-(oxan-4-yl)acetamide (PubChem CID 120794628) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-amino-N-[2-(3,5-dimethylphenyl)ethyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(3,5-dimethylphenyl)ethyl]-2-(oxan-4-yl)acetamide
PubChem CID120794628
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-amino-N-[2-(3,5-dimethylphenyl)ethyl]-2-(oxan-4-yl)acetamide
SMILESCc1cc(C)cc(CCNC(=O)C(N)C2CCOCC2)c1
InChIInChI=1S/C17H26N2O2/c1-12-9-13(2)11-14(10-12)3-6-19-17(20)16(18)15-4-7-21-8-5-15/h9-11,15-16H,3-8,18H2,1-2H3,(H,19,20)
InChIKeyWUFFHZILCHRBQV-UHFFFAOYSA-N
XLogP1.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide
CID 120784240
2-amino-N-[2-(4-tert-butylphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785867
2-amino-N-[2-(3-chlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784239
2-amino-N-[2-(4-methoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120782919
2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160
2-amino-N-[2-(2,6-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120787345
2-amino-N-[2-(2,6-dichlorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789587
2-amino-N-[2-(2,3-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide
CID 120793248
2-amino-N-(2,5-dimethylphenyl)-2-(oxan-4-yl)acetamide
CID 120782547
2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-2-(oxan-4-yl)acetamide
CID 120790284
2-amino-N-benzyl-2-(oxan-4-yl)acetamide
CID 120782611
N-[2-[[2-amino-2-(oxan-4-yl)acetyl]amino]ethyl]-3-fluoro-4-methylbenzamide
CID 120785624

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(3,5-dimethylphenyl)ethyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of 2-amino-N-[2-(3,5-dimethylphenyl)ethyl]-2-(oxan-4-yl)acetamide (CID 120794628) is 2-amino-N-[2-(3,5-dimethylphenyl)ethyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[2-(3,5-dimethylphenyl)ethyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[2-(3,5-dimethylphenyl)ethyl]-2-(oxan-4-yl)acetamide is Cc1cc(C)cc(CCNC(=O)C(N)C2CCOCC2)c1.
What is the InChIKey of 2-amino-N-[2-(3,5-dimethylphenyl)ethyl]-2-(oxan-4-yl)acetamide?
The InChIKey is WUFFHZILCHRBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12-9-13(2)11-14(10-12)3-6-19-17(20)16(18)15-4-7-21-8-5-15/h9-11,15-16H,3-8,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-[2-(3,5-dimethylphenyl)ethyl]-2-(oxan-4-yl)acetamide?
2-amino-N-[2-(3,5-dimethylphenyl)ethyl]-2-(oxan-4-yl)acetamide has a molecular weight of 290.41 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(3,5-dimethylphenyl)ethyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 120794628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).