2-amino-2-(4-methoxyphenyl)-N-[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide

C15H21F3N2O2 — CID 145361290

IUPAC2-amino-2-(4-methoxyphenyl)-N-[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide
SMILESCOc1ccc(C(N)C(=O)N[C@H](CC(F)(F)F)C(C)C)cc1
InChIInChI=1S/C15H21F3N2O2/c1-9(2)12(8-15(16,17)18)20-14(21)13(19)10-4-6-11(22-3)7-5-10/h4-7,9,12-13H,8,19H2,1-3H3,(H,20,21)/t12-,13?/m1/s1
InChIKeySYTBDSWCACLAMK-PZORYLMUSA-N
MW318.34 g/mol
LogP2.79
Rot. Bonds6

About 2-amino-2-(4-methoxyphenyl)-N-[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide

2-amino-2-(4-methoxyphenyl)-N-[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide (PubChem CID 145361290) has the molecular formula C15H21F3N2O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 2-amino-2-(4-methoxyphenyl)-N-[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide.

Molecular Properties

Compound Name2-amino-2-(4-methoxyphenyl)-N-[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide
PubChem CID145361290
Molecular FormulaC15H21F3N2O2
Molecular Weight318.34 g/mol
Exact Mass318.16
IUPAC Name2-amino-2-(4-methoxyphenyl)-N-[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide
SMILESCOc1ccc(C(N)C(=O)N[C@H](CC(F)(F)F)C(C)C)cc1
InChIInChI=1S/C15H21F3N2O2/c1-9(2)12(8-15(16,17)18)20-14(21)13(19)10-4-6-11(22-3)7-5-10/h4-7,9,12-13H,8,19H2,1-3H3,(H,20,21)/t12-,13?/m1/s1
InChIKeySYTBDSWCACLAMK-PZORYLMUSA-N
XLogP2.79
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methoxyphenyl)-N-[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide?
The IUPAC name of 2-amino-2-(4-methoxyphenyl)-N-[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide (CID 145361290) is 2-amino-2-(4-methoxyphenyl)-N-[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide.
What is the SMILES notation for 2-amino-2-(4-methoxyphenyl)-N-[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide?
The canonical SMILES for 2-amino-2-(4-methoxyphenyl)-N-[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide is COc1ccc(C(N)C(=O)N[C@H](CC(F)(F)F)C(C)C)cc1.
What is the InChIKey of 2-amino-2-(4-methoxyphenyl)-N-[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide?
The InChIKey is SYTBDSWCACLAMK-PZORYLMUSA-N. The full InChI is InChI=1S/C15H21F3N2O2/c1-9(2)12(8-15(16,17)18)20-14(21)13(19)10-4-6-11(22-3)7-5-10/h4-7,9,12-13H,8,19H2,1-3H3,(H,20,21)/t12-,13?/m1/s1.
What are the key properties of 2-amino-2-(4-methoxyphenyl)-N-[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide?
2-amino-2-(4-methoxyphenyl)-N-[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide has a molecular weight of 318.34 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methoxyphenyl)-N-[(3R)-1,1,1-trifluoro-4-methylpentan-3-yl]acetamide is sourced from PubChem (CID 145361290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).