2-amino-3,3,3-trifluoro-2-methyl-N-[3-(2-methylpropoxy)phenyl]propanamide

C14H19F3N2O2 — CID 79792084

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-[3-(2-methylpropoxy)phenyl]propanamide
SMILESCC(C)COc1cccc(NC(=O)C(C)(N)C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2/c1-9(2)8-21-11-6-4-5-10(7-11)19-12(20)13(3,18)14(15,16)17/h4-7,9H,8,18H2,1-3H3,(H,19,20)
InChIKeyLQBLHWYEIFBHDC-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.94
Rot. Bonds5

About 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(2-methylpropoxy)phenyl]propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-[3-(2-methylpropoxy)phenyl]propanamide (PubChem CID 79792084) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(2-methylpropoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-[3-(2-methylpropoxy)phenyl]propanamide
PubChem CID79792084
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-[3-(2-methylpropoxy)phenyl]propanamide
SMILESCC(C)COc1cccc(NC(=O)C(C)(N)C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2/c1-9(2)8-21-11-6-4-5-10(7-11)19-12(20)13(3,18)14(15,16)17/h4-7,9H,8,18H2,1-3H3,(H,19,20)
InChIKeyLQBLHWYEIFBHDC-UHFFFAOYSA-N
XLogP2.94
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 79804776
3-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 64684468
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
2-amino-3,3-dimethyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 76887829
2,2-dimethyl-N-[[3-(2-methylpropoxy)phenyl]carbamothioyl]propanamide
CID 17079897
ethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 60643144
4-tert-butyl-N-[3-(2-methylpropoxy)phenyl]benzamide
CID 17079565
N-[3-(2-methylpropoxy)phenyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958455
1-amino-N-[3-(2-methylpropoxy)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119714874
3-[3-(2-methylpropoxy)anilino]-3-oxopropanoic acid
CID 62230040
2-amino-N-(3-ethylphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79796687

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(2-methylpropoxy)phenyl]propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(2-methylpropoxy)phenyl]propanamide (CID 79792084) is 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(2-methylpropoxy)phenyl]propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(2-methylpropoxy)phenyl]propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(2-methylpropoxy)phenyl]propanamide is CC(C)COc1cccc(NC(=O)C(C)(N)C(F)(F)F)c1.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(2-methylpropoxy)phenyl]propanamide?
The InChIKey is LQBLHWYEIFBHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-9(2)8-21-11-6-4-5-10(7-11)19-12(20)13(3,18)14(15,16)17/h4-7,9H,8,18H2,1-3H3,(H,19,20).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(2-methylpropoxy)phenyl]propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-[3-(2-methylpropoxy)phenyl]propanamide has a molecular weight of 304.31 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-[3-(2-methylpropoxy)phenyl]propanamide is sourced from PubChem (CID 79792084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).