4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride

C11H22ClF3N2O2 — CID 120589296

IUPAC4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
SMILESCCCCN(CC(F)(F)F)C(=O)CC(CN)OC.Cl
InChIInChI=1S/C11H21F3N2O2.ClH/c1-3-4-5-16(8-11(12,13)14)10(17)6-9(7-15)18-2;/h9H,3-8,15H2,1-2H3;1H
InChIKeyFUGMLDWMMJLAHZ-UHFFFAOYSA-N
MW306.76 g/mol
LogP1.96
Rot. Bonds8

About 4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride

4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride (PubChem CID 120589296) has the molecular formula C11H22ClF3N2O2 and a molecular weight of 306.76 g/mol. Its IUPAC name is 4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
PubChem CID120589296
Molecular FormulaC11H22ClF3N2O2
Molecular Weight306.76 g/mol
Exact Mass306.13
IUPAC Name4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride
SMILESCCCCN(CC(F)(F)F)C(=O)CC(CN)OC.Cl
InChIInChI=1S/C11H21F3N2O2.ClH/c1-3-4-5-16(8-11(12,13)14)10(17)6-9(7-15)18-2;/h9H,3-8,15H2,1-2H3;1H
InChIKeyFUGMLDWMMJLAHZ-UHFFFAOYSA-N
XLogP1.96
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103155146
4-amino-N,N-dibutyl-3-methoxybutanamide
CID 103154284
4-amino-N-(2-hydroxyethyl)-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103155309
methyl 3-[(4-amino-3-methoxybutanoyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 103155182
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide
CID 103155176
4-amino-N-(2,2-difluoroethyl)-3-methoxy-N-propylbutanamide;hydrochloride
CID 120591084
ethyl 4-[butyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoate
CID 60778332
N-butyl-2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)acetamide
CID 112687242
N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)acetamide
CID 60809342
4-amino-3-methoxy-N,N-bis(2-methoxyethyl)butanamide;hydrochloride
CID 120586450
N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 78866720
(2S)-2-amino-N-butyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 61164133

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride?
The IUPAC name of 4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride (CID 120589296) is 4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride?
The canonical SMILES for 4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride is CCCCN(CC(F)(F)F)C(=O)CC(CN)OC.Cl.
What is the InChIKey of 4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride?
The InChIKey is FUGMLDWMMJLAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2.ClH/c1-3-4-5-16(8-11(12,13)14)10(17)6-9(7-15)18-2;/h9H,3-8,15H2,1-2H3;1H.
What are the key properties of 4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride?
4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride has a molecular weight of 306.76 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-butyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide;hydrochloride is sourced from PubChem (CID 120589296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).