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

C16H25ClF2N2O3 — CID 119285906

IUPAC2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpentanamide;hydrochloride
SMILESCCCC(N)C(=O)N(C)Cc1ccc(OC(F)F)c(OCC)c1.Cl
InChIInChI=1S/C16H24F2N2O3.ClH/c1-4-6-12(19)15(21)20(3)10-11-7-8-13(23-16(17)18)14(9-11)22-5-2;/h7-9,12,16H,4-6,10,19H2,1-3H3;1H
InChIKeyMEQGTZFULGYDHE-UHFFFAOYSA-N
MW366.84 g/mol
LogP3.19
Rot. Bonds9

About 2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpentanamide;hydrochloride

2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpentanamide;hydrochloride (PubChem CID 119285906) has the molecular formula C16H25ClF2N2O3 and a molecular weight of 366.84 g/mol. Its IUPAC name is 2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpentanamide;hydrochloride
PubChem CID119285906
Molecular FormulaC16H25ClF2N2O3
Molecular Weight366.84 g/mol
Exact Mass366.15
IUPAC Name2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpentanamide;hydrochloride
SMILESCCCC(N)C(=O)N(C)Cc1ccc(OC(F)F)c(OCC)c1.Cl
InChIInChI=1S/C16H24F2N2O3.ClH/c1-4-6-12(19)15(21)20(3)10-11-7-8-13(23-16(17)18)14(9-11)22-5-2;/h7-9,12,16H,4-6,10,19H2,1-3H3;1H
InChIKeyMEQGTZFULGYDHE-UHFFFAOYSA-N
XLogP3.19
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.84
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-3-phenylpropanamide;hydrochloride
CID 119949697
4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride
CID 120588496
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
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-2-phenylsulfanylacetamide
CID 55612167
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-(2,3-dimethylphenoxy)-N-methylpropanamide
CID 55612138
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-fluoro-N,2-dimethylbenzamide
CID 55612338
3-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl-methylamino]propan-1-ol
CID 51080580
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-3-(3-methylphenyl)propanamide
CID 55612210
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119717164
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-2-methoxy-N-methylethanamine
CID 51078381
2-(4-acetyl-2-methoxyphenoxy)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylacetamide
CID 55612142

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpentanamide;hydrochloride (CID 119285906) is 2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpentanamide;hydrochloride is CCCC(N)C(=O)N(C)Cc1ccc(OC(F)F)c(OCC)c1.Cl.
What is the InChIKey of 2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpentanamide;hydrochloride?
The InChIKey is MEQGTZFULGYDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O3.ClH/c1-4-6-12(19)15(21)20(3)10-11-7-8-13(23-16(17)18)14(9-11)22-5-2;/h7-9,12,16H,4-6,10,19H2,1-3H3;1H.
What are the key properties of 2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpentanamide;hydrochloride?
2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpentanamide;hydrochloride has a molecular weight of 366.84 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpentanamide;hydrochloride is sourced from PubChem (CID 119285906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).