3-amino-N-[2-(dimethylamino)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide

C16H24F3N3O — CID 120873187

IUPAC3-amino-N-[2-(dimethylamino)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCC(N)CC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H24F3N3O/c1-12(20)10-15(23)22(9-8-21(2)3)11-13-4-6-14(7-5-13)16(17,18)19/h4-7,12H,8-11,20H2,1-3H3
InChIKeyWZSGXILMKWSVAB-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.33
Rot. Bonds7

About 3-amino-N-[2-(dimethylamino)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide

3-amino-N-[2-(dimethylamino)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide (PubChem CID 120873187) has the molecular formula C16H24F3N3O and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-amino-N-[2-(dimethylamino)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[2-(dimethylamino)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
PubChem CID120873187
Molecular FormulaC16H24F3N3O
Molecular Weight331.38 g/mol
Exact Mass331.19
IUPAC Name3-amino-N-[2-(dimethylamino)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
SMILESCC(N)CC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H24F3N3O/c1-12(20)10-15(23)22(9-8-21(2)3)11-13-4-6-14(7-5-13)16(17,18)19/h4-7,12H,8-11,20H2,1-3H3
InChIKeyWZSGXILMKWSVAB-UHFFFAOYSA-N
XLogP2.33
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 120873188
3-amino-N-[(4-methylphenyl)methyl]-N-propylbutanamide
CID 54869448
3-amino-N-benzyl-N-(2-phenylethyl)butanamide
CID 119675960
N-[2-(dimethylamino)ethyl]-2-[4-(tetrazol-1-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 52763841
3-amino-N-benzyl-N-propylbutanamide;hydrochloride
CID 119681635
3-amino-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]butanamide
CID 119737530
2-[4-[[2-(dimethylamino)ethyl-[[4-(trifluoromethyl)phenyl]methyl]carbamoyl]amino]phenyl]-N-methylacetamide
CID 86846972
2-amino-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanediamide
CID 61259468
3-amino-N-benzyl-N-(2,2-dimethylpropyl)butanamide
CID 119774602
2-tert-butylsulfanyl-N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 60598768
(2S,3S)-2-amino-N,3-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 61259824
ethyl N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 60636161

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(dimethylamino)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The IUPAC name of 3-amino-N-[2-(dimethylamino)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide (CID 120873187) is 3-amino-N-[2-(dimethylamino)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide.
What is the SMILES notation for 3-amino-N-[2-(dimethylamino)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The canonical SMILES for 3-amino-N-[2-(dimethylamino)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide is CC(N)CC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-amino-N-[2-(dimethylamino)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
The InChIKey is WZSGXILMKWSVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O/c1-12(20)10-15(23)22(9-8-21(2)3)11-13-4-6-14(7-5-13)16(17,18)19/h4-7,12H,8-11,20H2,1-3H3.
What are the key properties of 3-amino-N-[2-(dimethylamino)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide?
3-amino-N-[2-(dimethylamino)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide has a molecular weight of 331.38 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(dimethylamino)ethyl]-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide is sourced from PubChem (CID 120873187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).