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

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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).