2-(propylamino)-N-[3-(trifluoromethyl)cyclobutyl]acetamide

C10H17F3N2O — CID 177160142

IUPAC2-(propylamino)-N-[3-(trifluoromethyl)cyclobutyl]acetamide
SMILESCCCNCC(=O)NC1CC(C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O/c1-2-3-14-6-9(16)15-8-4-7(5-8)10(11,12)13/h7-8,14H,2-6H2,1H3,(H,15,16)
InChIKeyCLEYQLISHWRYNX-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.44
Rot. Bonds5

About 2-(propylamino)-N-[3-(trifluoromethyl)cyclobutyl]acetamide

2-(propylamino)-N-[3-(trifluoromethyl)cyclobutyl]acetamide (PubChem CID 177160142) has the molecular formula C10H17F3N2O and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-(propylamino)-N-[3-(trifluoromethyl)cyclobutyl]acetamide.

Molecular Properties

Compound Name2-(propylamino)-N-[3-(trifluoromethyl)cyclobutyl]acetamide
PubChem CID177160142
Molecular FormulaC10H17F3N2O
Molecular Weight238.25 g/mol
Exact Mass238.13
IUPAC Name2-(propylamino)-N-[3-(trifluoromethyl)cyclobutyl]acetamide
SMILESCCCNCC(=O)NC1CC(C(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O/c1-2-3-14-6-9(16)15-8-4-7(5-8)10(11,12)13/h7-8,14H,2-6H2,1H3,(H,15,16)
InChIKeyCLEYQLISHWRYNX-UHFFFAOYSA-N
XLogP1.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.44
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

2-[cyclopropyl(1-cyclopropylethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 51077908
(2S)-2-[cyclobutylmethyl(methyl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 97237697
2-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 24694869
(R)-2-Amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 28181729
(2S)-2-amino-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 28181731
(2S)-N-butyl-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 58730383
(2S)-2-amino-4-methyl-N-(3,3,3-trifluoropropyl)pentanamide
CID 63226851
N~2~-(Trifluoroacetyl)valinamide
CID 71318133
2-amino-N-(2,2-difluoroethyl)-3-methylbutanamide
CID 81433964
(2R)-2-amino-N-(2,2-difluoroethyl)-3-methylbutanamide
CID 115406832
2,2,2-trifluoro-N-(3-methylcyclobutyl)acetamide
CID 115670962
2-[(3,3-Difluoro-1-methylcyclobutyl)amino]acetamide
CID 124188858

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)-N-[3-(trifluoromethyl)cyclobutyl]acetamide?
The IUPAC name of 2-(propylamino)-N-[3-(trifluoromethyl)cyclobutyl]acetamide (CID 177160142) is 2-(propylamino)-N-[3-(trifluoromethyl)cyclobutyl]acetamide.
What is the SMILES notation for 2-(propylamino)-N-[3-(trifluoromethyl)cyclobutyl]acetamide?
The canonical SMILES for 2-(propylamino)-N-[3-(trifluoromethyl)cyclobutyl]acetamide is CCCNCC(=O)NC1CC(C(F)(F)F)C1.
What is the InChIKey of 2-(propylamino)-N-[3-(trifluoromethyl)cyclobutyl]acetamide?
The InChIKey is CLEYQLISHWRYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O/c1-2-3-14-6-9(16)15-8-4-7(5-8)10(11,12)13/h7-8,14H,2-6H2,1H3,(H,15,16).
What are the key properties of 2-(propylamino)-N-[3-(trifluoromethyl)cyclobutyl]acetamide?
2-(propylamino)-N-[3-(trifluoromethyl)cyclobutyl]acetamide has a molecular weight of 238.25 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)-N-[3-(trifluoromethyl)cyclobutyl]acetamide is sourced from PubChem (CID 177160142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).