N-[1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2,2,2-trifluoroacetamide

C15H21F3N2O — CID 130847733

IUPACN-[1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2,2,2-trifluoroacetamide
SMILESCC(C)C(CN(C)Cc1ccccc1)NC(=O)C(F)(F)F
InChIInChI=1S/C15H21F3N2O/c1-11(2)13(19-14(21)15(16,17)18)10-20(3)9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,19,21)
InChIKeyIEKRROHFMOCCJR-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.82
Rot. Bonds6

About N-[1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2,2,2-trifluoroacetamide

N-[1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2,2,2-trifluoroacetamide (PubChem CID 130847733) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2,2,2-trifluoroacetamide
PubChem CID130847733
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-[1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2,2,2-trifluoroacetamide
SMILESCC(C)C(CN(C)Cc1ccccc1)NC(=O)C(F)(F)F
InChIInChI=1S/C15H21F3N2O/c1-11(2)13(19-14(21)15(16,17)18)10-20(3)9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,19,21)
InChIKeyIEKRROHFMOCCJR-UHFFFAOYSA-N
XLogP2.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,2-N-dibenzyl-1-N,3-dimethylbutane-1,2-diamine
CID 130887110
(2S)-N-[(2S)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2-(oxan-4-yl)propanamide
CID 99785131
N-[3-[benzyl(methyl)amino]propyl]-2,2,2-trifluoroacetamide
CID 62490939
2,2,2-trifluoro-N-(4-phenylbutan-2-yl)acetamide
CID 4564814
3-[benzyl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 2765888
N-[(2S)-1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-3-fluoro-4-(1,2,4-triazol-1-yl)benzamide
CID 99785169
(2S)-3-[benzyl(methyl)amino]-2-methyl-1-phenylpropan-1-one
CID 94514227
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895
1-[benzyl(methyl)amino]-5-methylhexane-2,3,4-triol
CID 153440075
(3aS,6aR)-2-[[1-[benzyl(methyl)amino]-3-methylbutan-2-yl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122010355
1-N-benzyl-1-N,3-dimethyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine
CID 133479946
N-benzyl-N-methyl-1-phenylmethanamine;oxalic acid
CID 163328136

Frequently Asked Questions

What is the IUPAC name of N-[1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2,2,2-trifluoroacetamide (CID 130847733) is N-[1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2,2,2-trifluoroacetamide is CC(C)C(CN(C)Cc1ccccc1)NC(=O)C(F)(F)F.
What is the InChIKey of N-[1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2,2,2-trifluoroacetamide?
The InChIKey is IEKRROHFMOCCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-11(2)13(19-14(21)15(16,17)18)10-20(3)9-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,19,21).
What are the key properties of N-[1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2,2,2-trifluoroacetamide?
N-[1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2,2,2-trifluoroacetamide has a molecular weight of 302.34 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[benzyl(methyl)amino]-3-methylbutan-2-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 130847733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).