2-amino-2-cyclohexyl-N-(1-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid

C18H31F3N2O3 — CID 70896363

IUPAC2-amino-2-cyclohexyl-N-(1-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid
SMILESCC(NC(=O)C(N)C1CCCCC1)C1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H30N2O.C2HF3O2/c1-12(13-8-4-2-5-9-13)18-16(19)15(17)14-10-6-3-7-11-14;3-2(4,5)1(6)7/h12-15H,2-11,17H2,1H3,(H,18,19);(H,6,7)
InChIKeyPLVMEWIDHSDPDG-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.61
Rot. Bonds4

About 2-amino-2-cyclohexyl-N-(1-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid

2-amino-2-cyclohexyl-N-(1-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 70896363) has the molecular formula C18H31F3N2O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-amino-2-cyclohexyl-N-(1-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-amino-2-cyclohexyl-N-(1-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID70896363
Molecular FormulaC18H31F3N2O3
Molecular Weight380.45 g/mol
Exact Mass380.23
IUPAC Name2-amino-2-cyclohexyl-N-(1-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid
SMILESCC(NC(=O)C(N)C1CCCCC1)C1CCCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H30N2O.C2HF3O2/c1-12(13-8-4-2-5-9-13)18-16(19)15(17)14-10-6-3-7-11-14;3-2(4,5)1(6)7/h12-15H,2-11,17H2,1H3,(H,18,19);(H,6,7)
InChIKeyPLVMEWIDHSDPDG-UHFFFAOYSA-N
XLogP3.61
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclohexyl-N-(1-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-amino-2-cyclohexyl-N-(1-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid (CID 70896363) is 2-amino-2-cyclohexyl-N-(1-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-amino-2-cyclohexyl-N-(1-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-amino-2-cyclohexyl-N-(1-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid is CC(NC(=O)C(N)C1CCCCC1)C1CCCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-amino-2-cyclohexyl-N-(1-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is PLVMEWIDHSDPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O.C2HF3O2/c1-12(13-8-4-2-5-9-13)18-16(19)15(17)14-10-6-3-7-11-14;3-2(4,5)1(6)7/h12-15H,2-11,17H2,1H3,(H,18,19);(H,6,7).
What are the key properties of 2-amino-2-cyclohexyl-N-(1-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid?
2-amino-2-cyclohexyl-N-(1-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 380.45 g/mol, XLogP of 3.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclohexyl-N-(1-cyclohexylethyl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 70896363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).