2-[[di(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide

C16H31F3N2O — CID 134918056

IUPAC2-[[di(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(CC(C(=O)N(C(C)C)C(C)C)C(F)(F)F)C(C)C
InChIInChI=1S/C16H31F3N2O/c1-10(2)20(11(3)4)9-14(16(17,18)19)15(22)21(12(5)6)13(7)8/h10-14H,9H2,1-8H3
InChIKeyMPCFTMUETRGBNI-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.93
Rot. Bonds7

About 2-[[di(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide

2-[[di(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide (PubChem CID 134918056) has the molecular formula C16H31F3N2O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-[[di(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide.

Molecular Properties

Compound Name2-[[di(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide
PubChem CID134918056
Molecular FormulaC16H31F3N2O
Molecular Weight324.43 g/mol
Exact Mass324.24
IUPAC Name2-[[di(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide
SMILESCC(C)N(CC(C(=O)N(C(C)C)C(C)C)C(F)(F)F)C(C)C
InChIInChI=1S/C16H31F3N2O/c1-10(2)20(11(3)4)9-14(16(17,18)19)15(22)21(12(5)6)13(7)8/h10-14H,9H2,1-8H3
InChIKeyMPCFTMUETRGBNI-UHFFFAOYSA-N
XLogP3.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[di(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide?
The IUPAC name of 2-[[di(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide (CID 134918056) is 2-[[di(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide.
What is the SMILES notation for 2-[[di(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide?
The canonical SMILES for 2-[[di(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide is CC(C)N(CC(C(=O)N(C(C)C)C(C)C)C(F)(F)F)C(C)C.
What is the InChIKey of 2-[[di(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide?
The InChIKey is MPCFTMUETRGBNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3N2O/c1-10(2)20(11(3)4)9-14(16(17,18)19)15(22)21(12(5)6)13(7)8/h10-14H,9H2,1-8H3.
What are the key properties of 2-[[di(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide?
2-[[di(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide has a molecular weight of 324.43 g/mol, XLogP of 3.93, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[di(propan-2-yl)amino]methyl]-3,3,3-trifluoro-N,N-di(propan-2-yl)propanamide is sourced from PubChem (CID 134918056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).