N-(2-amino-4-methoxyphenyl)-3-(1,1,1-trifluoropropan-2-yloxy)propanamide

C13H17F3N2O3 — CID 66276928

IUPACN-(2-amino-4-methoxyphenyl)-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
SMILESCOc1ccc(NC(=O)CCOC(C)C(F)(F)F)c(N)c1
InChIInChI=1S/C13H17F3N2O3/c1-8(13(14,15)16)21-6-5-12(19)18-11-4-3-9(20-2)7-10(11)17/h3-4,7-8H,5-6,17H2,1-2H3,(H,18,19)
InChIKeyMUPJJJKKZTTZSO-UHFFFAOYSA-N
MW306.28 g/mol
LogP2.57
Rot. Bonds6

About N-(2-amino-4-methoxyphenyl)-3-(1,1,1-trifluoropropan-2-yloxy)propanamide

N-(2-amino-4-methoxyphenyl)-3-(1,1,1-trifluoropropan-2-yloxy)propanamide (PubChem CID 66276928) has the molecular formula C13H17F3N2O3 and a molecular weight of 306.28 g/mol. Its IUPAC name is N-(2-amino-4-methoxyphenyl)-3-(1,1,1-trifluoropropan-2-yloxy)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-methoxyphenyl)-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
PubChem CID66276928
Molecular FormulaC13H17F3N2O3
Molecular Weight306.28 g/mol
Exact Mass306.12
IUPAC NameN-(2-amino-4-methoxyphenyl)-3-(1,1,1-trifluoropropan-2-yloxy)propanamide
SMILESCOc1ccc(NC(=O)CCOC(C)C(F)(F)F)c(N)c1
InChIInChI=1S/C13H17F3N2O3/c1-8(13(14,15)16)21-6-5-12(19)18-11-4-3-9(20-2)7-10(11)17/h3-4,7-8H,5-6,17H2,1-2H3,(H,18,19)
InChIKeyMUPJJJKKZTTZSO-UHFFFAOYSA-N
XLogP2.57
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
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-(2-amino-4-methoxyphenyl)-3-(2-propan-2-yloxyethoxy)propanamide
CID 18071109
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N-(2-amino-4-methoxyphenyl)-3-propan-2-ylsulfonylpropanamide
CID 60884521
N-(2-amino-4-methoxyphenyl)-4-[butan-2-yl(methyl)amino]butanamide
CID 43272559
(2S)-N-(2-amino-4-methoxyphenyl)-2-methylbutanamide
CID 40788880
N-(2-amino-4-methoxyphenyl)-3-[methyl(3-methylbutan-2-yl)amino]propanamide
CID 43569669
N-(2-amino-4-methoxyphenyl)nonanamide
CID 65449480
N-(2-amino-4-methoxyphenyl)-2-butan-2-ylsulfanylacetamide
CID 43188465
N-(2-amino-4-methoxyphenyl)-4-(3-hydroxybutan-2-ylsulfanyl)butanamide
CID 107770402
N-(2-amino-4-methoxyphenyl)-2-(4,4,4-trifluorobutoxy)acetamide
CID 82781335
N-(2-amino-4-methoxyphenyl)-2-propan-2-ylsulfinylacetamide
CID 61286623
N-(2-amino-4-methoxyphenyl)-4-pentoxybutanamide
CID 43274979

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methoxyphenyl)-3-(1,1,1-trifluoropropan-2-yloxy)propanamide?
The IUPAC name of N-(2-amino-4-methoxyphenyl)-3-(1,1,1-trifluoropropan-2-yloxy)propanamide (CID 66276928) is N-(2-amino-4-methoxyphenyl)-3-(1,1,1-trifluoropropan-2-yloxy)propanamide.
What is the SMILES notation for N-(2-amino-4-methoxyphenyl)-3-(1,1,1-trifluoropropan-2-yloxy)propanamide?
The canonical SMILES for N-(2-amino-4-methoxyphenyl)-3-(1,1,1-trifluoropropan-2-yloxy)propanamide is COc1ccc(NC(=O)CCOC(C)C(F)(F)F)c(N)c1.
What is the InChIKey of N-(2-amino-4-methoxyphenyl)-3-(1,1,1-trifluoropropan-2-yloxy)propanamide?
The InChIKey is MUPJJJKKZTTZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3/c1-8(13(14,15)16)21-6-5-12(19)18-11-4-3-9(20-2)7-10(11)17/h3-4,7-8H,5-6,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-4-methoxyphenyl)-3-(1,1,1-trifluoropropan-2-yloxy)propanamide?
N-(2-amino-4-methoxyphenyl)-3-(1,1,1-trifluoropropan-2-yloxy)propanamide has a molecular weight of 306.28 g/mol, XLogP of 2.57, 6 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)-3-(1,1,1-trifluoropropan-2-yloxy)propanamide is sourced from PubChem (CID 66276928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).