3-(tert-butylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

C15H21F3N2O — CID 62879787

IUPAC3-(tert-butylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(C)(C)NCCC(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-14(2,3)20-9-8-13(21)19-10-11-4-6-12(7-5-11)15(16,17)18/h4-7,20H,8-10H2,1-3H3,(H,19,21)
InChIKeyBBZIIHIVOJXWRM-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.10
Rot. Bonds5

About 3-(tert-butylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide

3-(tert-butylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 62879787) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID62879787
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC Name3-(tert-butylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(C)(C)NCCC(=O)NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-14(2,3)20-9-8-13(21)19-10-11-4-6-12(7-5-11)15(16,17)18/h4-7,20H,8-10H2,1-3H3,(H,19,21)
InChIKeyBBZIIHIVOJXWRM-UHFFFAOYSA-N
XLogP3.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 55129127
3-(tert-butylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 60849701
3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480479
3-(tert-butylamino)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 60850763
6-oxo-6-[[4-(trifluoromethyl)phenyl]methylamino]hexanoic acid
CID 62880956
4-bromo-N-[3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propyl]benzamide
CID 25402488
5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 114014911
2-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 16757561
2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 143901871
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
7-sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]heptanamide
CID 118721865
4-(4-methylphenyl)-4-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 25402695

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-(tert-butylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (CID 62879787) is 3-(tert-butylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is CC(C)(C)NCCC(=O)NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(tert-butylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is BBZIIHIVOJXWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-14(2,3)20-9-8-13(21)19-10-11-4-6-12(7-5-11)15(16,17)18/h4-7,20H,8-10H2,1-3H3,(H,19,21).
What are the key properties of 3-(tert-butylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
3-(tert-butylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 302.34 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 62879787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).