3-(tert-butylamino)-3-cyclohexyl-2,2-difluoro-N-propan-2-ylpropanamide

C16H30F2N2O — CID 58331669

IUPAC3-(tert-butylamino)-3-cyclohexyl-2,2-difluoro-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(F)(F)C(NC(C)(C)C)C1CCCCC1
InChIInChI=1S/C16H30F2N2O/c1-11(2)19-14(21)16(17,18)13(20-15(3,4)5)12-9-7-6-8-10-12/h11-13,20H,6-10H2,1-5H3,(H,19,21)
InChIKeyRJDRQOXVEBACLE-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.48
Rot. Bonds5

About 3-(tert-butylamino)-3-cyclohexyl-2,2-difluoro-N-propan-2-ylpropanamide

3-(tert-butylamino)-3-cyclohexyl-2,2-difluoro-N-propan-2-ylpropanamide (PubChem CID 58331669) has the molecular formula C16H30F2N2O and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-(tert-butylamino)-3-cyclohexyl-2,2-difluoro-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-3-cyclohexyl-2,2-difluoro-N-propan-2-ylpropanamide
PubChem CID58331669
Molecular FormulaC16H30F2N2O
Molecular Weight304.43 g/mol
Exact Mass304.23
IUPAC Name3-(tert-butylamino)-3-cyclohexyl-2,2-difluoro-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(F)(F)C(NC(C)(C)C)C1CCCCC1
InChIInChI=1S/C16H30F2N2O/c1-11(2)19-14(21)16(17,18)13(20-15(3,4)5)12-9-7-6-8-10-12/h11-13,20H,6-10H2,1-5H3,(H,19,21)
InChIKeyRJDRQOXVEBACLE-UHFFFAOYSA-N
XLogP3.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-3-cyclohexyl-2,2-difluoro-N-propan-2-ylpropanamide?
The IUPAC name of 3-(tert-butylamino)-3-cyclohexyl-2,2-difluoro-N-propan-2-ylpropanamide (CID 58331669) is 3-(tert-butylamino)-3-cyclohexyl-2,2-difluoro-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(tert-butylamino)-3-cyclohexyl-2,2-difluoro-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(tert-butylamino)-3-cyclohexyl-2,2-difluoro-N-propan-2-ylpropanamide is CC(C)NC(=O)C(F)(F)C(NC(C)(C)C)C1CCCCC1.
What is the InChIKey of 3-(tert-butylamino)-3-cyclohexyl-2,2-difluoro-N-propan-2-ylpropanamide?
The InChIKey is RJDRQOXVEBACLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2N2O/c1-11(2)19-14(21)16(17,18)13(20-15(3,4)5)12-9-7-6-8-10-12/h11-13,20H,6-10H2,1-5H3,(H,19,21).
What are the key properties of 3-(tert-butylamino)-3-cyclohexyl-2,2-difluoro-N-propan-2-ylpropanamide?
3-(tert-butylamino)-3-cyclohexyl-2,2-difluoro-N-propan-2-ylpropanamide has a molecular weight of 304.43 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-3-cyclohexyl-2,2-difluoro-N-propan-2-ylpropanamide is sourced from PubChem (CID 58331669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).