N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-cycloheptyloxypropanamide

C18H25F3N2O2 — CID 120604549

IUPACN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-cycloheptyloxypropanamide
SMILESCC(OC1CCCCCC1)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1
InChIInChI=1S/C18H25F3N2O2/c1-12(25-16-6-4-2-3-5-7-16)17(24)23-15-9-13(11-22)8-14(10-15)18(19,20)21/h8-10,12,16H,2-7,11,22H2,1H3,(H,23,24)
InChIKeyNQVAKNUJFNIJJJ-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.23
Rot. Bonds5

About N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-cycloheptyloxypropanamide

N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-cycloheptyloxypropanamide (PubChem CID 120604549) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-cycloheptyloxypropanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-cycloheptyloxypropanamide
PubChem CID120604549
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC NameN-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-cycloheptyloxypropanamide
SMILESCC(OC1CCCCCC1)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1
InChIInChI=1S/C18H25F3N2O2/c1-12(25-16-6-4-2-3-5-7-16)17(24)23-15-9-13(11-22)8-14(10-15)18(19,20)21/h8-10,12,16H,2-7,11,22H2,1H3,(H,23,24)
InChIKeyNQVAKNUJFNIJJJ-UHFFFAOYSA-N
XLogP4.23
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-cycloheptyloxypropanamide?
The IUPAC name of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-cycloheptyloxypropanamide (CID 120604549) is N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-cycloheptyloxypropanamide.
What is the SMILES notation for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-cycloheptyloxypropanamide?
The canonical SMILES for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-cycloheptyloxypropanamide is CC(OC1CCCCCC1)C(=O)Nc1cc(CN)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-cycloheptyloxypropanamide?
The InChIKey is NQVAKNUJFNIJJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c1-12(25-16-6-4-2-3-5-7-16)17(24)23-15-9-13(11-22)8-14(10-15)18(19,20)21/h8-10,12,16H,2-7,11,22H2,1H3,(H,23,24).
What are the key properties of N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-cycloheptyloxypropanamide?
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-cycloheptyloxypropanamide has a molecular weight of 358.40 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-2-cycloheptyloxypropanamide is sourced from PubChem (CID 120604549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).