3-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride

C20H25ClF2N2O3 — CID 119816495

IUPAC3-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCCOc1cccc(CNC(=O)C(C)C(N)c2ccccc2)c1OC(F)F.Cl
InChIInChI=1S/C20H24F2N2O3.ClH/c1-3-26-16-11-7-10-15(18(16)27-20(21)22)12-24-19(25)13(2)17(23)14-8-5-4-6-9-14;/h4-11,13,17,20H,3,12,23H2,1-2H3,(H,24,25);1H
InChIKeyWTUPLELVKCUJMO-UHFFFAOYSA-N
MW414.88 g/mol
LogP4.06
Rot. Bonds9

About 3-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119816495) has the molecular formula C20H25ClF2N2O3 and a molecular weight of 414.88 g/mol. Its IUPAC name is 3-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119816495
Molecular FormulaC20H25ClF2N2O3
Molecular Weight414.88 g/mol
Exact Mass414.15
IUPAC Name3-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride
SMILESCCOc1cccc(CNC(=O)C(C)C(N)c2ccccc2)c1OC(F)F.Cl
InChIInChI=1S/C20H24F2N2O3.ClH/c1-3-26-16-11-7-10-15(18(16)27-20(21)22)12-24-19(25)13(2)17(23)14-8-5-4-6-9-14;/h4-11,13,17,20H,3,12,23H2,1-2H3,(H,24,25);1H
InChIKeyWTUPLELVKCUJMO-UHFFFAOYSA-N
XLogP4.06
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.88
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120669116
3-amino-N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-2-methyl-3-phenylpropanamide
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4-[[[2-(difluoromethoxy)-3-ethoxyphenyl]methylcarbamoylamino]methyl]benzoic acid
CID 122006031
4-(aminomethyl)-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]oxane-4-carboxamide;hydrochloride
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N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 119816481
1-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-ethyl-2-methylguanidine
CID 75469869
2-(2-aminoethyl)-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-1,3-thiazole-4-carboxamide
CID 120638211
N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]morpholine-3-carboxamide
CID 119816482
3-amino-N-[1-(2-ethoxyphenyl)propyl]-2-methyl-3-phenylpropanamide
CID 119721382
3-amino-2-methyl-N-[[2-(methylsulfonylmethyl)phenyl]methyl]-3-phenylpropanamide;hydrochloride
CID 119808558
3-amino-N-[(2-ethoxyphenyl)methyl]butanamide;hydrochloride
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3-amino-2-methyl-N-[3-(2-methylphenoxy)propyl]-3-phenylpropanamide
CID 119772263

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride (CID 119816495) is 3-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride is CCOc1cccc(CNC(=O)C(C)C(N)c2ccccc2)c1OC(F)F.Cl.
What is the InChIKey of 3-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is WTUPLELVKCUJMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O3.ClH/c1-3-26-16-11-7-10-15(18(16)27-20(21)22)12-24-19(25)13(2)17(23)14-8-5-4-6-9-14;/h4-11,13,17,20H,3,12,23H2,1-2H3,(H,24,25);1H.
What are the key properties of 3-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 414.88 g/mol, XLogP of 4.06, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119816495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).