N-(4-amino-2-methoxyphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)propanamide

C13H17F3N2O3 — CID 66275206

IUPACN-(4-amino-2-methoxyphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)propanamide
SMILESCOc1cc(N)ccc1NC(=O)C(C)OC(C)C(F)(F)F
InChIInChI=1S/C13H17F3N2O3/c1-7(21-8(2)13(14,15)16)12(19)18-10-5-4-9(17)6-11(10)20-3/h4-8H,17H2,1-3H3,(H,18,19)
InChIKeyZKHVZFLIOXLWOQ-UHFFFAOYSA-N
MW306.28 g/mol
LogP2.57
Rot. Bonds5

About N-(4-amino-2-methoxyphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)propanamide

N-(4-amino-2-methoxyphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)propanamide (PubChem CID 66275206) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)propanamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)propanamide
PubChem CID66275206
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC NameN-(4-amino-2-methoxyphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)propanamide
SMILESCOc1cc(N)ccc1NC(=O)C(C)OC(C)C(F)(F)F
InChIInChI=1S/C13H17F3N2O3/c1-7(21-8(2)13(14,15)16)12(19)18-10-5-4-9(17)6-11(10)20-3/h4-8H,17H2,1-3H3,(H,18,19)
InChIKeyZKHVZFLIOXLWOQ-UHFFFAOYSA-N
XLogP2.57
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.28
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 54852607
N-(4-amino-2-methoxyphenyl)-2-(4-tert-butylphenoxy)propanamide
CID 54852668
N-(4-amino-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 54852451
N-(4-amino-2-methoxyphenyl)-2-(2-methylpentoxy)propanamide
CID 103282970
N-(4-amino-2-methoxyphenyl)-2-(cyclopentylmethoxy)propanamide
CID 66323873
[1-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methoxyanilino]-1-oxopropan-2-yl] carbamate
CID 175387528
N-(4-amino-2-methoxyphenyl)-2-[cyclopropyl(methyl)amino]propanamide
CID 43264583
(2R)-N-(2,4-dimethoxyphenyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 38900928
N-(4-amino-2-methoxyphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 79177188
N-(4-amino-2-methoxyphenyl)-2-[methyl(2-methylpropyl)amino]propanamide
CID 43271750
N-(4-amino-2-methoxyphenyl)-2-phenylsulfanylpropanamide
CID 43104129
N-(5-amino-2-methoxyphenyl)-2-pentan-2-yloxypropanamide
CID 102980701

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)propanamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)propanamide (CID 66275206) is N-(4-amino-2-methoxyphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)propanamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)propanamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)propanamide is COc1cc(N)ccc1NC(=O)C(C)OC(C)C(F)(F)F.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)propanamide?
The InChIKey is ZKHVZFLIOXLWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-7(21-8(2)13(14,15)16)12(19)18-10-5-4-9(17)6-11(10)20-3/h4-8H,17H2,1-3H3,(H,18,19).
What are the key properties of N-(4-amino-2-methoxyphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)propanamide?
N-(4-amino-2-methoxyphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)propanamide has a molecular weight of 306.28 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-2-(1,1,1-trifluoropropan-2-yloxy)propanamide is sourced from PubChem (CID 66275206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).