3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methyl-3-phenylpropanamide;hydrochloride

C20H24ClFN2O2 — CID 119811119

IUPAC3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)Nc1ccc(OC2CCC2)c(F)c1)C(N)c1ccccc1.Cl
InChIInChI=1S/C20H23FN2O2.ClH/c1-13(19(22)14-6-3-2-4-7-14)20(24)23-15-10-11-18(17(21)12-15)25-16-8-5-9-16;/h2-4,6-7,10-13,16,19H,5,8-9,22H2,1H3,(H,23,24);1H
InChIKeyIEURIACKRDOVDA-UHFFFAOYSA-N
MW378.88 g/mol
LogP4.45
Rot. Bonds6

About 3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119811119) has the molecular formula C20H24ClFN2O2 and a molecular weight of 378.88 g/mol. Its IUPAC name is 3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119811119
Molecular FormulaC20H24ClFN2O2
Molecular Weight378.88 g/mol
Exact Mass378.15
IUPAC Name3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCC(C(=O)Nc1ccc(OC2CCC2)c(F)c1)C(N)c1ccccc1.Cl
InChIInChI=1S/C20H23FN2O2.ClH/c1-13(19(22)14-6-3-2-4-7-14)20(24)23-15-10-11-18(17(21)12-15)25-16-8-5-9-16;/h2-4,6-7,10-13,16,19H,5,8-9,22H2,1H3,(H,23,24);1H
InChIKeyIEURIACKRDOVDA-UHFFFAOYSA-N
XLogP4.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.88
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methyl-3-phenylpropanamide;hydrochloride (CID 119811119) is 3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methyl-3-phenylpropanamide;hydrochloride is CC(C(=O)Nc1ccc(OC2CCC2)c(F)c1)C(N)c1ccccc1.Cl.
What is the InChIKey of 3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is IEURIACKRDOVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2.ClH/c1-13(19(22)14-6-3-2-4-7-14)20(24)23-15-10-11-18(17(21)12-15)25-16-8-5-9-16;/h2-4,6-7,10-13,16,19H,5,8-9,22H2,1H3,(H,23,24);1H.
What are the key properties of 3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 378.88 g/mol, XLogP of 4.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-cyclobutyloxy-3-fluorophenyl)-2-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119811119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).