4-amino-3-methoxy-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]butanamide

C17H25F3N2O2 — CID 120591392

IUPAC4-amino-3-methoxy-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]butanamide
SMILESCOC(CN)CC(=O)NC(CC(C)C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H25F3N2O2/c1-11(2)7-15(22-16(23)9-14(10-21)24-3)12-5-4-6-13(8-12)17(18,19)20/h4-6,8,11,14-15H,7,9-10,21H2,1-3H3,(H,22,23)
InChIKeyNRIRUTTUSXXRMP-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.27
Rot. Bonds8

About 4-amino-3-methoxy-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]butanamide

4-amino-3-methoxy-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]butanamide (PubChem CID 120591392) has the molecular formula C17H25F3N2O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]butanamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]butanamide
PubChem CID120591392
Molecular FormulaC17H25F3N2O2
Molecular Weight346.39 g/mol
Exact Mass346.19
IUPAC Name4-amino-3-methoxy-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]butanamide
SMILESCOC(CN)CC(=O)NC(CC(C)C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H25F3N2O2/c1-11(2)7-15(22-16(23)9-14(10-21)24-3)12-5-4-6-13(8-12)17(18,19)20/h4-6,8,11,14-15H,7,9-10,21H2,1-3H3,(H,22,23)
InChIKeyNRIRUTTUSXXRMP-UHFFFAOYSA-N
XLogP3.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]butyl]butanamide
CID 120591390
4-amino-3-methoxy-N-(3-methyl-1-phenylbutyl)butanamide
CID 103154671
2-(methylamino)-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]acetamide;hydrochloride
CID 119769325
(2S)-2-amino-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride
CID 119315304
4-amino-N-ethyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 120592804
3-amino-3-phenyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide;hydrochloride
CID 119948966
4-amino-3-methoxy-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]butanamide;hydrochloride
CID 120592787
4-amino-N-cyclopropyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 120589542
3-amino-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide;hydrochloride
CID 119769323
N-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 65384986
(2S,5R)-5-(aminomethyl)-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]oxolane-2-carboxamide
CID 120791690
N-(1-amino-4-methylpentan-2-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 119588010

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]butanamide?
The IUPAC name of 4-amino-3-methoxy-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]butanamide (CID 120591392) is 4-amino-3-methoxy-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]butanamide.
What is the SMILES notation for 4-amino-3-methoxy-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]butanamide?
The canonical SMILES for 4-amino-3-methoxy-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]butanamide is COC(CN)CC(=O)NC(CC(C)C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-amino-3-methoxy-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]butanamide?
The InChIKey is NRIRUTTUSXXRMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N2O2/c1-11(2)7-15(22-16(23)9-14(10-21)24-3)12-5-4-6-13(8-12)17(18,19)20/h4-6,8,11,14-15H,7,9-10,21H2,1-3H3,(H,22,23).
What are the key properties of 4-amino-3-methoxy-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]butanamide?
4-amino-3-methoxy-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]butanamide has a molecular weight of 346.39 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]butanamide is sourced from PubChem (CID 120591392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).