N-(2-amino-6-methylphenyl)-2-(4,4,4-trifluorobutoxy)acetamide

C13H17F3N2O2 — CID 82788195

IUPACN-(2-amino-6-methylphenyl)-2-(4,4,4-trifluorobutoxy)acetamide
SMILESCc1cccc(N)c1NC(=O)COCCCC(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-9-4-2-5-10(17)12(9)18-11(19)8-20-7-3-6-13(14,15)16/h2,4-5H,3,6-8,17H2,1H3,(H,18,19)
InChIKeyPODCMEJXRVIDID-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.87
Rot. Bonds6

About N-(2-amino-6-methylphenyl)-2-(4,4,4-trifluorobutoxy)acetamide

N-(2-amino-6-methylphenyl)-2-(4,4,4-trifluorobutoxy)acetamide (PubChem CID 82788195) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-2-(4,4,4-trifluorobutoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-2-(4,4,4-trifluorobutoxy)acetamide
PubChem CID82788195
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC NameN-(2-amino-6-methylphenyl)-2-(4,4,4-trifluorobutoxy)acetamide
SMILESCc1cccc(N)c1NC(=O)COCCCC(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-9-4-2-5-10(17)12(9)18-11(19)8-20-7-3-6-13(14,15)16/h2,4-5H,3,6-8,17H2,1H3,(H,18,19)
InChIKeyPODCMEJXRVIDID-UHFFFAOYSA-N
XLogP2.87
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-6-methylphenyl)-2-heptoxyacetamide
CID 43376791
N-(2-amino-6-methylphenyl)-2-(2-methylpropoxy)acetamide
CID 43376602
N-(2-amino-6-methylphenyl)-2-methoxyacetamide
CID 43376359
N-(4-aminophenyl)-2-(4,4,4-trifluorobutoxy)acetamide
CID 82789395
N-(2-amino-6-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 43376385
N-(2-amino-4-methoxyphenyl)-2-(4,4,4-trifluorobutoxy)acetamide
CID 82781335
N-(2-amino-6-methylphenyl)-2-(oxan-4-yloxy)acetamide
CID 61287148
N-(2-amino-6-methylphenyl)-2-(2-methylphenyl)acetamide
CID 43152283
N-(2,6-dimethylphenyl)-2-(2-phenylethoxy)acetamide
CID 86871191
N-(2-amino-6-methylphenyl)-2-(oxolan-3-yloxy)acetamide
CID 55218804
N-(2-amino-6-methylphenyl)-2-(dipropylamino)acetamide
CID 43375546
N-(2-ethyl-6-methylphenyl)-2-(2-hydroxyethoxy)acetamide
CID 110678275

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-2-(4,4,4-trifluorobutoxy)acetamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-2-(4,4,4-trifluorobutoxy)acetamide (CID 82788195) is N-(2-amino-6-methylphenyl)-2-(4,4,4-trifluorobutoxy)acetamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-2-(4,4,4-trifluorobutoxy)acetamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-2-(4,4,4-trifluorobutoxy)acetamide is Cc1cccc(N)c1NC(=O)COCCCC(F)(F)F.
What is the InChIKey of N-(2-amino-6-methylphenyl)-2-(4,4,4-trifluorobutoxy)acetamide?
The InChIKey is PODCMEJXRVIDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-9-4-2-5-10(17)12(9)18-11(19)8-20-7-3-6-13(14,15)16/h2,4-5H,3,6-8,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-6-methylphenyl)-2-(4,4,4-trifluorobutoxy)acetamide?
N-(2-amino-6-methylphenyl)-2-(4,4,4-trifluorobutoxy)acetamide has a molecular weight of 290.28 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-methylphenyl)-2-(4,4,4-trifluorobutoxy)acetamide is sourced from PubChem (CID 82788195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).