N-(2-methylbutan-2-yl)-2-(3,3,3-trifluoropropylamino)propanamide

C11H21F3N2O — CID 55173400

IUPACN-(2-methylbutan-2-yl)-2-(3,3,3-trifluoropropylamino)propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-5-10(3,4)16-9(17)8(2)15-7-6-11(12,13)14/h8,15H,5-7H2,1-4H3,(H,16,17)
InChIKeyAEYAWMCAKWGZPB-UHFFFAOYSA-N
MW254.30 g/mol
LogP2.22
Rot. Bonds6

About N-(2-methylbutan-2-yl)-2-(3,3,3-trifluoropropylamino)propanamide

N-(2-methylbutan-2-yl)-2-(3,3,3-trifluoropropylamino)propanamide (PubChem CID 55173400) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(3,3,3-trifluoropropylamino)propanamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(3,3,3-trifluoropropylamino)propanamide
PubChem CID55173400
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC NameN-(2-methylbutan-2-yl)-2-(3,3,3-trifluoropropylamino)propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCCC(F)(F)F
InChIInChI=1S/C11H21F3N2O/c1-5-10(3,4)16-9(17)8(2)15-7-6-11(12,13)14/h8,15H,5-7H2,1-4H3,(H,16,17)
InChIKeyAEYAWMCAKWGZPB-UHFFFAOYSA-N
XLogP2.22
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methylbutan-2-yl)-2-(3-methylbutylamino)propanamide
CID 43112990
2-(ethylamino)-N-(2-methylbutan-2-yl)propanamide
CID 43112409
2-(3-hydroxypropylamino)-N-(2-methylbutan-2-yl)propanamide
CID 43416442
N-(2-methylbutan-2-yl)-2-(pentylamino)propanamide
CID 43112752
2-[2-(dimethylamino)ethylamino]-N-(2-methylbutan-2-yl)propanamide
CID 43112399
2-[2-(2-hydroxyethoxy)ethylamino]-N-(2-methylbutan-2-yl)propanamide
CID 60720233
N-(2-methylbutan-2-yl)-2-(2-methylbutan-2-ylamino)propanamide
CID 43116529
2-(2-butoxyethylamino)-N-(2-methylbutan-2-yl)propanamide
CID 61170101
N-(2-methylbutan-2-yl)-2-(3-methylbut-2-enylamino)propanamide
CID 103520478
methyl 2-(3,3,3-trifluoropropylamino)propanoate
CID 63226175
N-(2-methylbutan-2-yl)-2-(3-phenylpropylamino)propanamide
CID 60720415
2-[[2-(diethylamino)-2-oxoethyl]amino]-N-(2-methylbutan-2-yl)propanamide
CID 112687061

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(3,3,3-trifluoropropylamino)propanamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(3,3,3-trifluoropropylamino)propanamide (CID 55173400) is N-(2-methylbutan-2-yl)-2-(3,3,3-trifluoropropylamino)propanamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(3,3,3-trifluoropropylamino)propanamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(3,3,3-trifluoropropylamino)propanamide is CCC(C)(C)NC(=O)C(C)NCCC(F)(F)F.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(3,3,3-trifluoropropylamino)propanamide?
The InChIKey is AEYAWMCAKWGZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-5-10(3,4)16-9(17)8(2)15-7-6-11(12,13)14/h8,15H,5-7H2,1-4H3,(H,16,17).
What are the key properties of N-(2-methylbutan-2-yl)-2-(3,3,3-trifluoropropylamino)propanamide?
N-(2-methylbutan-2-yl)-2-(3,3,3-trifluoropropylamino)propanamide has a molecular weight of 254.30 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-(3,3,3-trifluoropropylamino)propanamide is sourced from PubChem (CID 55173400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).