N-(3-methylbutan-2-yl)-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide

C15H21F3N2O — CID 60702100

IUPACN-(3-methylbutan-2-yl)-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide
SMILESCC(C)C(C)NC(=O)CNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-10(2)11(3)20-14(21)9-19-8-12-4-6-13(7-5-12)15(16,17)18/h4-7,10-11,19H,8-9H2,1-3H3,(H,20,21)
InChIKeyYEZBQJDAMIBABI-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.96
Rot. Bonds6

About N-(3-methylbutan-2-yl)-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide

N-(3-methylbutan-2-yl)-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide (PubChem CID 60702100) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(3-methylbutan-2-yl)-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide.

Molecular Properties

Compound NameN-(3-methylbutan-2-yl)-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide
PubChem CID60702100
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-(3-methylbutan-2-yl)-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide
SMILESCC(C)C(C)NC(=O)CNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H21F3N2O/c1-10(2)11(3)20-14(21)9-19-8-12-4-6-13(7-5-12)15(16,17)18/h4-7,10-11,19H,8-9H2,1-3H3,(H,20,21)
InChIKeyYEZBQJDAMIBABI-UHFFFAOYSA-N
XLogP2.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(3-methylbutan-2-yl)-3-[[4-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111000670
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
(2R)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methylamino]butanoic acid
CID 93056728
2-[(6-methoxy-3-pyridinyl)methylamino]-N-(3-methylbutan-2-yl)acetamide
CID 62990803
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983
2-[2-amino-4-(trifluoromethyl)phenyl]sulfanyl-N-(3-methylbutan-2-yl)acetamide
CID 43251162
tert-butyl 2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methylamino]acetate
CID 69158393
2-[[3-fluoro-5-(trifluoromethyl)phenyl]methylamino]-N-propan-2-ylacetamide
CID 115282732
2-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine
CID 60702124
2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 143901871
5-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]hexan-1-amine
CID 115325146
N-(1-amino-3-methylbutan-2-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 65191111

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutan-2-yl)-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide?
The IUPAC name of N-(3-methylbutan-2-yl)-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide (CID 60702100) is N-(3-methylbutan-2-yl)-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide.
What is the SMILES notation for N-(3-methylbutan-2-yl)-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide?
The canonical SMILES for N-(3-methylbutan-2-yl)-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide is CC(C)C(C)NC(=O)CNCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(3-methylbutan-2-yl)-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide?
The InChIKey is YEZBQJDAMIBABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-10(2)11(3)20-14(21)9-19-8-12-4-6-13(7-5-12)15(16,17)18/h4-7,10-11,19H,8-9H2,1-3H3,(H,20,21).
What are the key properties of N-(3-methylbutan-2-yl)-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide?
N-(3-methylbutan-2-yl)-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide has a molecular weight of 302.34 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutan-2-yl)-2-[[4-(trifluoromethyl)phenyl]methylamino]acetamide is sourced from PubChem (CID 60702100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).