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

C16H25ClF2N2O4 — CID 120588496

IUPAC4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride
SMILESCCOc1cc(CN(C)C(=O)CC(CN)OC)ccc1OC(F)F.Cl
InChIInChI=1S/C16H24F2N2O4.ClH/c1-4-23-14-7-11(5-6-13(14)24-16(17)18)10-20(2)15(21)8-12(9-19)22-3;/h5-7,12,16H,4,8-10,19H2,1-3H3;1H
InChIKeyJVYYJGBUFMQPGQ-UHFFFAOYSA-N
MW382.84 g/mol
LogP2.43
Rot. Bonds10

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

4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride (PubChem CID 120588496) has the molecular formula C16H25ClF2N2O4 and a molecular weight of 382.84 g/mol. Its IUPAC name is 4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound Name4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride
PubChem CID120588496
Molecular FormulaC16H25ClF2N2O4
Molecular Weight382.84 g/mol
Exact Mass382.15
IUPAC Name4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride
SMILESCCOc1cc(CN(C)C(=O)CC(CN)OC)ccc1OC(F)F.Cl
InChIInChI=1S/C16H24F2N2O4.ClH/c1-4-23-14-7-11(5-6-13(14)24-16(17)18)10-20(2)15(21)8-12(9-19)22-3;/h5-7,12,16H,4,8-10,19H2,1-3H3;1H
InChIKeyJVYYJGBUFMQPGQ-UHFFFAOYSA-N
XLogP2.43
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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-methoxybutanamide
CID 120588442
2-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylpentanamide;hydrochloride
CID 119285906
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methyl-2-phenylsulfanylacetamide
CID 55612167
4-amino-N-[(3-hydroxy-4-methoxyphenyl)methyl]-3-methoxy-N-methylbutanamide
CID 120589966
N'-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N'-methylethane-1,2-diamine
CID 55104178
2-(4-acetyl-2-methoxyphenoxy)-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N-methylacetamide
CID 55612142
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-N,5-dimethylthiophene-2-carboxamide
CID 55612240
N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-fluoro-N,2-dimethylbenzamide
CID 55612338
4-amino-3-methoxy-N-[(4-methoxyphenyl)methyl]-N-methylbutanamide;hydrochloride
CID 120586784
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride?
The IUPAC name of 4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride (CID 120588496) is 4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride.
What is the SMILES notation for 4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride?
The canonical SMILES for 4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride is CCOc1cc(CN(C)C(=O)CC(CN)OC)ccc1OC(F)F.Cl.
What is the InChIKey of 4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride?
The InChIKey is JVYYJGBUFMQPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O4.ClH/c1-4-23-14-7-11(5-6-13(14)24-16(17)18)10-20(2)15(21)8-12(9-19)22-3;/h5-7,12,16H,4,8-10,19H2,1-3H3;1H.
What are the key properties of 4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride?
4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride has a molecular weight of 382.84 g/mol, XLogP of 2.43, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[4-(difluoromethoxy)-3-ethoxyphenyl]methyl]-3-methoxy-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 120588496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).