N-(2-amino-4-methoxyphenyl)-2-(4,4,4-trifluorobutoxy)acetamide

C13H17F3N2O3 — CID 82781335

IUPACN-(2-amino-4-methoxyphenyl)-2-(4,4,4-trifluorobutoxy)acetamide
SMILESCOc1ccc(NC(=O)COCCCC(F)(F)F)c(N)c1
InChIInChI=1S/C13H17F3N2O3/c1-20-9-3-4-11(10(17)7-9)18-12(19)8-21-6-2-5-13(14,15)16/h3-4,7H,2,5-6,8,17H2,1H3,(H,18,19)
InChIKeyIVKKKGIPFPAUDM-UHFFFAOYSA-N
MW306.28 g/mol
LogP2.58
Rot. Bonds7

About N-(2-amino-4-methoxyphenyl)-2-(4,4,4-trifluorobutoxy)acetamide

N-(2-amino-4-methoxyphenyl)-2-(4,4,4-trifluorobutoxy)acetamide (PubChem CID 82781335) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-2-(4,4,4-trifluorobutoxy)acetamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-2-(4,4,4-trifluorobutoxy)acetamide
PubChem CID82781335
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC NameN-(2-amino-4-methoxyphenyl)-2-(4,4,4-trifluorobutoxy)acetamide
SMILESCOc1ccc(NC(=O)COCCCC(F)(F)F)c(N)c1
InChIInChI=1S/C13H17F3N2O3/c1-20-9-3-4-11(10(17)7-9)18-12(19)8-21-6-2-5-13(14,15)16/h3-4,7H,2,5-6,8,17H2,1H3,(H,18,19)
InChIKeyIVKKKGIPFPAUDM-UHFFFAOYSA-N
XLogP2.58
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-4-methoxyphenyl)-2-[2-(2-methoxyethoxy)ethoxy]acetamide
CID 104560142
N-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide
CID 43274979
N-(2-amino-4-methoxyphenyl)-3-(3,3-dimethylbutoxy)propanamide
CID 66232216
N-(4-aminophenyl)-2-(4,4,4-trifluorobutoxy)acetamide
CID 82789395
(2-amino-4-methoxyphenyl)carbamic acid
CID 22317519
N-(2-amino-4-methoxyphenyl)-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
CID 66276928
N-(2-amino-6-methylphenyl)-2-(4,4,4-trifluorobutoxy)acetamide
CID 82788195
N-(2-amino-4-fluorophenyl)-2-(3,3-dimethylbutoxy)acetamide
CID 66231542
N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
N-[2-amino-4-(trifluoromethyl)phenyl]-2-(2-cyclopropylethoxy)acetamide
CID 106199882
N-(2-amino-4-chlorophenyl)-2-[2-(3-methoxypropoxy)ethoxy]acetamide
CID 103176913
N-(2-amino-4-methoxyphenyl)-2-(oxan-4-yloxy)acetamide
CID 61288778

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-2-(4,4,4-trifluorobutoxy)acetamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-2-(4,4,4-trifluorobutoxy)acetamide (CID 82781335) is N-(2-amino-4-methoxyphenyl)-2-(4,4,4-trifluorobutoxy)acetamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-2-(4,4,4-trifluorobutoxy)acetamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-2-(4,4,4-trifluorobutoxy)acetamide is COc1ccc(NC(=O)COCCCC(F)(F)F)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-2-(4,4,4-trifluorobutoxy)acetamide?
The InChIKey is IVKKKGIPFPAUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-20-9-3-4-11(10(17)7-9)18-12(19)8-21-6-2-5-13(14,15)16/h3-4,7H,2,5-6,8,17H2,1H3,(H,18,19).
What are the key properties of N-(2-amino-4-methoxyphenyl)-2-(4,4,4-trifluorobutoxy)acetamide?
N-(2-amino-4-methoxyphenyl)-2-(4,4,4-trifluorobutoxy)acetamide has a molecular weight of 306.28 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methoxyphenyl)-2-(4,4,4-trifluorobutoxy)acetamide is sourced from PubChem (CID 82781335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).