2-amino-3,3,3-trifluoro-2-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide

C14H21F3N2O — CID 79796748

IUPAC2-amino-3,3,3-trifluoro-2-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
SMILESCC(N)(C(=O)NC1CC2CC1C1CCCC21)C(F)(F)F
InChIInChI=1S/C14H21F3N2O/c1-13(18,14(15,16)17)12(20)19-11-6-7-5-10(11)9-4-2-3-8(7)9/h7-11H,2-6,18H2,1H3,(H,19,20)
InChIKeyCPLSUUYFQLIGKF-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.21
Rot. Bonds2

About 2-amino-3,3,3-trifluoro-2-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide

2-amino-3,3,3-trifluoro-2-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide (PubChem CID 79796748) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-amino-3,3,3-trifluoro-2-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide.

Molecular Properties

Compound Name2-amino-3,3,3-trifluoro-2-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
PubChem CID79796748
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name2-amino-3,3,3-trifluoro-2-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
SMILESCC(N)(C(=O)NC1CC2CC1C1CCCC21)C(F)(F)F
InChIInChI=1S/C14H21F3N2O/c1-13(18,14(15,16)17)12(20)19-11-6-7-5-10(11)9-4-2-3-8(7)9/h7-11H,2-6,18H2,1H3,(H,19,20)
InChIKeyCPLSUUYFQLIGKF-UHFFFAOYSA-N
XLogP2.21
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide?
The IUPAC name of 2-amino-3,3,3-trifluoro-2-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide (CID 79796748) is 2-amino-3,3,3-trifluoro-2-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide.
What is the SMILES notation for 2-amino-3,3,3-trifluoro-2-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide?
The canonical SMILES for 2-amino-3,3,3-trifluoro-2-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide is CC(N)(C(=O)NC1CC2CC1C1CCCC21)C(F)(F)F.
What is the InChIKey of 2-amino-3,3,3-trifluoro-2-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide?
The InChIKey is CPLSUUYFQLIGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-13(18,14(15,16)17)12(20)19-11-6-7-5-10(11)9-4-2-3-8(7)9/h7-11H,2-6,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-3,3,3-trifluoro-2-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide?
2-amino-3,3,3-trifluoro-2-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide has a molecular weight of 290.33 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3,3-trifluoro-2-methyl-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide is sourced from PubChem (CID 79796748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).