N,2,2-trimethyl-3-(4,4,4-trifluorobutylamino)propanamide

C10H19F3N2O — CID 106277282

IUPACN,2,2-trimethyl-3-(4,4,4-trifluorobutylamino)propanamide
SMILESCNC(=O)C(C)(C)CNCCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-9(2,8(16)14-3)7-15-6-4-5-10(11,12)13/h15H,4-7H2,1-3H3,(H,14,16)
InChIKeyNFTKVKFKBZLNPE-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.69
Rot. Bonds6

About N,2,2-trimethyl-3-(4,4,4-trifluorobutylamino)propanamide

N,2,2-trimethyl-3-(4,4,4-trifluorobutylamino)propanamide (PubChem CID 106277282) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is N,2,2-trimethyl-3-(4,4,4-trifluorobutylamino)propanamide.

Molecular Properties

Compound NameN,2,2-trimethyl-3-(4,4,4-trifluorobutylamino)propanamide
PubChem CID106277282
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC NameN,2,2-trimethyl-3-(4,4,4-trifluorobutylamino)propanamide
SMILESCNC(=O)C(C)(C)CNCCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-9(2,8(16)14-3)7-15-6-4-5-10(11,12)13/h15H,4-7H2,1-3H3,(H,14,16)
InChIKeyNFTKVKFKBZLNPE-UHFFFAOYSA-N
XLogP1.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,3-dimethylbutylamino)-N,2,2-trimethylpropanamide
CID 102672659
3-(2-ethoxyethylamino)-N,2,2-trimethylpropanamide
CID 106277468
2-hydroxy-2-methyl-3-(5,5,5-trifluoropentylamino)propanoic acid
CID 104644905
N-(4,4,4-trifluorobutyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 115520284
3-(3-imidazol-1-ylpropylamino)-N,2,2-trimethylpropanamide
CID 114167351
5-(2,2-dimethylpropanoylamino)-N,2,2-trimethylpentanamide
CID 134364568
ethyl 2-(4,4,4-trifluorobutylamino)acetate
CID 115513560
tert-butyl 2-(4,4,4-trifluorobutylamino)acetate
CID 58330495
N-methyl-N'-(4,4,4-trifluorobutyl)butane-1,4-diamine
CID 115520274
4-(4,4,4-trifluorobutylamino)butanamide
CID 115513564
3-(3-methoxypropylcarbamothioylamino)-N,2,2-trimethylpropanamide
CID 103822776
N,2,2-trimethyl-3-(oxan-4-ylmethylamino)propanamide
CID 115749017

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-3-(4,4,4-trifluorobutylamino)propanamide?
The IUPAC name of N,2,2-trimethyl-3-(4,4,4-trifluorobutylamino)propanamide (CID 106277282) is N,2,2-trimethyl-3-(4,4,4-trifluorobutylamino)propanamide.
What is the SMILES notation for N,2,2-trimethyl-3-(4,4,4-trifluorobutylamino)propanamide?
The canonical SMILES for N,2,2-trimethyl-3-(4,4,4-trifluorobutylamino)propanamide is CNC(=O)C(C)(C)CNCCCC(F)(F)F.
What is the InChIKey of N,2,2-trimethyl-3-(4,4,4-trifluorobutylamino)propanamide?
The InChIKey is NFTKVKFKBZLNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-9(2,8(16)14-3)7-15-6-4-5-10(11,12)13/h15H,4-7H2,1-3H3,(H,14,16).
What are the key properties of N,2,2-trimethyl-3-(4,4,4-trifluorobutylamino)propanamide?
N,2,2-trimethyl-3-(4,4,4-trifluorobutylamino)propanamide has a molecular weight of 240.27 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-3-(4,4,4-trifluorobutylamino)propanamide is sourced from PubChem (CID 106277282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).