3-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-3-phenylpropanamide;hydrochloride

C20H25ClF2N2O3 — CID 119949697

IUPAC3-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-3-phenylpropanamide;hydrochloride
SMILESCCOc1cc(CN(C)C(=O)CC(N)c2ccccc2)ccc1OC(F)F.Cl
InChIInChI=1S/C20H24F2N2O3.ClH/c1-3-26-18-11-14(9-10-17(18)27-20(21)22)13-24(2)19(25)12-16(23)15-7-5-4-6-8-15;/h4-11,16,20H,3,12-13,23H2,1-2H3;1H
InChIKeyZNDBFXWPSLEBGA-UHFFFAOYSA-N
MW414.88 g/mol
LogP4.16
Rot. Bonds9

About 3-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-3-phenylpropanamide;hydrochloride

3-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-3-phenylpropanamide;hydrochloride (PubChem CID 119949697) has the molecular formula C20H25ClF2N2O3 and a molecular weight of 414.88 g/mol. Its IUPAC name is 3-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-3-phenylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-3-phenylpropanamide;hydrochloride
PubChem CID119949697
Molecular FormulaC20H25ClF2N2O3
Molecular Weight414.88 g/mol
Exact Mass414.15
IUPAC Name3-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-3-phenylpropanamide;hydrochloride
SMILESCCOc1cc(CN(C)C(=O)CC(N)c2ccccc2)ccc1OC(F)F.Cl
InChIInChI=1S/C20H24F2N2O3.ClH/c1-3-26-18-11-14(9-10-17(18)27-20(21)22)13-24(2)19(25)12-16(23)15-7-5-4-6-8-15;/h4-11,16,20H,3,12-13,23H2,1-2H3;1H
InChIKeyZNDBFXWPSLEBGA-UHFFFAOYSA-N
XLogP4.16
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.88
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120588496
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-2-phenylsulfanylacetamide
CID 55612167
2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpentanamide;hydrochloride
CID 119285906
3-amino-3-[4-(difluoromethoxy)-3-ethoxyphenyl]propanoic acid
CID 21082339
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-3-(3-methylphenyl)propanamide
CID 55612210
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-(2,3-dimethylphenoxy)-N-methylpropanamide
CID 55612138
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylthiophene-2-carboxamide
CID 55612240
N'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine
CID 55104178
2-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]-N-phenylpropanamide
CID 46406054
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119717164
4-[[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]methyl]-N-phenylbenzamide
CID 46406297
2-(4-acetyl-2-methoxyphenoxy)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylacetamide
CID 55612142

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-3-phenylpropanamide;hydrochloride?
The IUPAC name of 3-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-3-phenylpropanamide;hydrochloride (CID 119949697) is 3-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-3-phenylpropanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-3-phenylpropanamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-3-phenylpropanamide;hydrochloride is CCOc1cc(CN(C)C(=O)CC(N)c2ccccc2)ccc1OC(F)F.Cl.
What is the InChIKey of 3-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-3-phenylpropanamide;hydrochloride?
The InChIKey is ZNDBFXWPSLEBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F2N2O3.ClH/c1-3-26-18-11-14(9-10-17(18)27-20(21)22)13-24(2)19(25)12-16(23)15-7-5-4-6-8-15;/h4-11,16,20H,3,12-13,23H2,1-2H3;1H.
What are the key properties of 3-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-3-phenylpropanamide;hydrochloride?
3-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-3-phenylpropanamide;hydrochloride has a molecular weight of 414.88 g/mol, XLogP of 4.16, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-3-phenylpropanamide;hydrochloride is sourced from PubChem (CID 119949697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).