N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)phenyl]butanamide

C15H21F3N2O — CID 119581679

IUPACN-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)phenyl]butanamide
SMILESCC(CC(=O)N(C)C(C)CN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-10(7-14(21)20(3)11(2)9-19)12-5-4-6-13(8-12)15(16,17)18/h4-6,8,10-11H,7,9,19H2,1-3H3
InChIKeyXBTIBXHYRSGPTJ-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.00
Rot. Bonds5

About N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)phenyl]butanamide

N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 119581679) has the molecular formula C15H21F3N2O and a molecular weight of 302.34 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID119581679
Molecular FormulaC15H21F3N2O
Molecular Weight302.34 g/mol
Exact Mass302.16
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)phenyl]butanamide
SMILESCC(CC(=O)N(C)C(C)CN)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C15H21F3N2O/c1-10(7-14(21)20(3)11(2)9-19)12-5-4-6-13(8-12)15(16,17)18/h4-6,8,10-11H,7,9,19H2,1-3H3
InChIKeyXBTIBXHYRSGPTJ-UHFFFAOYSA-N
XLogP3.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)phenyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-[methyl-[3-[3-(trifluoromethyl)phenyl]butanoyl]amino]propanoic acid
CID 119228621
N-methyl-N-pyrrolidin-3-yl-3-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119550376
N-(3-aminopropyl)-3-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119405227
4-amino-N-ethyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 120592804
4-amino-3-[3-(trifluoromethyl)phenyl]pentanoic acid
CID 66099186
(2R)-2-[[(3S)-3-[3-(trifluoromethyl)phenyl]butanoyl]amino]propanoic acid
CID 129415123
3-[3-[3-(trifluoromethyl)phenyl]butanoylamino]butanoic acid
CID 119221372
1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]pentan-3-ol
CID 65190090
1-amino-4,4-dimethyl-2-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 65190191
ethyl 2,2-difluoro-3-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoate
CID 60723433
ethyl 2-hydroxy-3-[3-(trifluoromethyl)phenyl]butanoate
CID 66290861
ethyl 2-bromo-2-[3-(trifluoromethyl)phenyl]acetate
CID 12717579

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)phenyl]butanamide (CID 119581679) is N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)phenyl]butanamide is CC(CC(=O)N(C)C(C)CN)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is XBTIBXHYRSGPTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O/c1-10(7-14(21)20(3)11(2)9-19)12-5-4-6-13(8-12)15(16,17)18/h4-6,8,10-11H,7,9,19H2,1-3H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)phenyl]butanamide?
N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 302.34 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-3-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 119581679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).