N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclobutanecarboxamide

C11H19F3N2O — CID 51080880

IUPACN-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclobutanecarboxamide
SMILESCN(CCCNC(=O)C1CCC1)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-16(8-11(12,13)14)7-3-6-15-10(17)9-4-2-5-9/h9H,2-8H2,1H3,(H,15,17)
InChIKeyIMUWEXRXRYNUGC-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.79
Rot. Bonds6

About N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclobutanecarboxamide

N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclobutanecarboxamide (PubChem CID 51080880) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclobutanecarboxamide
PubChem CID51080880
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC NameN-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclobutanecarboxamide
SMILESCN(CCCNC(=O)C1CCC1)CC(F)(F)F
InChIInChI=1S/C11H19F3N2O/c1-16(8-11(12,13)14)7-3-6-15-10(17)9-4-2-5-9/h9H,2-8H2,1H3,(H,15,17)
InChIKeyIMUWEXRXRYNUGC-UHFFFAOYSA-N
XLogP1.79
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidine-4-carboxamide
CID 55720513
1-(5-cyano-2-pyridinyl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]piperidine-4-carboxamide
CID 46481936
4-cyclopentyloxy-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]benzamide
CID 55716152
N-[3-[benzyl(methyl)amino]propyl]cyclopentanecarboxamide
CID 110461342
N-[4-[methyl(3,3,3-trifluoropropyl)amino]-4-oxobutyl]cyclopropanecarboxamide
CID 86833572
1-[(1-hydroxycyclobutyl)methyl]-3-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]urea
CID 111438270
4-N-[2-(dimethylamino)ethyl]-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147025
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-5-phenylpyrazolidine-3-carboxamide
CID 75196091
N-(3-hydroxypropyl)cyclopentanecarboxamide
CID 43392689
N-(2-hydroxyethyl)cyclobutanecarboxamide
CID 43389004
N-(5,5,5-trifluoropentyl)cyclopropanecarboxamide
CID 115491611
N-(4-hydroxybutyl)cyclopentanecarboxamide
CID 106843693

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclobutanecarboxamide (CID 51080880) is N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclobutanecarboxamide is CN(CCCNC(=O)C1CCC1)CC(F)(F)F.
What is the InChIKey of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclobutanecarboxamide?
The InChIKey is IMUWEXRXRYNUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-16(8-11(12,13)14)7-3-6-15-10(17)9-4-2-5-9/h9H,2-8H2,1H3,(H,15,17).
What are the key properties of N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclobutanecarboxamide?
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclobutanecarboxamide has a molecular weight of 252.28 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]cyclobutanecarboxamide is sourced from PubChem (CID 51080880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).