2-amino-3,3,3-trifluoro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropanamide

C14H19F3N2O2 — CID 79792524

IUPAC2-amino-3,3,3-trifluoro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropanamide
SMILESCOc1ccccc1CC(C)NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C14H19F3N2O2/c1-9(8-10-6-4-5-7-11(10)21-3)19-12(20)13(2,18)14(15,16)17/h4-7,9H,8,18H2,1-3H3,(H,19,20)
InChIKeyFNGXHVNUBUORHH-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.02
Rot. Bonds5

About 2-amino-3,3,3-trifluoro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropanamide

2-amino-3,3,3-trifluoro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropanamide (PubChem CID 79792524) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropanamide
PubChem CID79792524
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name2-amino-3,3,3-trifluoro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropanamide
SMILESCOc1ccccc1CC(C)NC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C14H19F3N2O2/c1-9(8-10-6-4-5-7-11(10)21-3)19-12(20)13(2,18)14(15,16)17/h4-7,9H,8,18H2,1-3H3,(H,19,20)
InChIKeyFNGXHVNUBUORHH-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(2-chlorophenyl)propan-2-yl]-3,3,3-trifluoro-2-methylpropanamide
CID 79796905
2-amino-3,3,3-trifluoro-2-methyl-N-(1-phenylpropan-2-yl)propanamide
CID 79810676
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
methyl (2S)-2-[1-(2-methoxyphenyl)propan-2-ylamino]propanoate
CID 43786749
N-[1-(2-methoxyphenyl)propan-2-yl]-3-oxobutanamide
CID 54867173
3-amino-4-[1-(2-methoxyphenyl)propan-2-ylamino]-4-oxobutanoic acid
CID 64896685
tert-butyl N-[(2R)-1-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 94811556
3-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]propanamide
CID 54867469
2-[1-(2-methoxyphenyl)propan-2-ylamino]-3-methylbutanamide
CID 106344173
phenyl N-[1-(2-methoxyphenyl)propan-2-yl]carbamate
CID 61068601
methyl (2S)-2-[[(2S)-1-(2-methoxyphenyl)propan-2-yl]amino]hexanoate
CID 97308730
N-[1-(2,5-dimethoxyphenyl)propan-2-yl]-2,2,3,3,3-pentafluoropropanamide
CID 91727190

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropanamide (CID 79792524) is 2-amino-3,3,3-trifluoro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropanamide is COc1ccccc1CC(C)NC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropanamide?
The InChIKey is FNGXHVNUBUORHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-9(8-10-6-4-5-7-11(10)21-3)19-12(20)13(2,18)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-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropanamide?
2-amino-3,3,3-trifluoro-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropanamide has a molecular weight of 304.31 g/mol, XLogP of 2.02, 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-N-[1-(2-methoxyphenyl)propan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 79792524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).