N-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide

C19H23NO3 — CID 75869937

IUPACN-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide
SMILESCOc1ccc(C(C)N(C)C(=O)CCOc2ccccc2)cc1
InChIInChI=1S/C19H23NO3/c1-15(16-9-11-17(22-3)12-10-16)20(2)19(21)13-14-23-18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3
InChIKeyXJHPOEYAEQZUBC-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.68
Rot. Bonds7

About N-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide

N-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide (PubChem CID 75869937) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide
PubChem CID75869937
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC NameN-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide
SMILESCOc1ccc(C(C)N(C)C(=O)CCOc2ccccc2)cc1
InChIInChI=1S/C19H23NO3/c1-15(16-9-11-17(22-3)12-10-16)20(2)19(21)13-14-23-18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3
InChIKeyXJHPOEYAEQZUBC-UHFFFAOYSA-N
XLogP3.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxypropanamide
CID 75870195
2-[methyl(3-phenoxypropanoyl)amino]propanoic acid
CID 62626003
7-(4-methoxyphenyl)-N-methyl-7-oxo-N-[(1S)-1-phenylethyl]heptanamide
CID 99792882
4-(4-methoxyphenoxy)-N-methyl-N-propan-2-ylbutanamide
CID 86920290
N-[3-[1-[4-(4-methoxyphenoxy)butanoyl-methylamino]ethyl]phenyl]benzamide
CID 46533483
2-[methyl-[3-(4-propan-2-ylphenoxy)propanoyl]amino]propanoic acid
CID 119208995
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-2-(methylamino)acetamide
CID 119704697
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methyl-3-phenoxypropanamide
CID 76928336
N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253817
N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide
CID 119581308
N-(2-hydroxyethyl)-3-(4-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 43573753
N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119582078

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide?
The IUPAC name of N-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide (CID 75869937) is N-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide.
What is the SMILES notation for N-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide?
The canonical SMILES for N-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide is COc1ccc(C(C)N(C)C(=O)CCOc2ccccc2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide?
The InChIKey is XJHPOEYAEQZUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-15(16-9-11-17(22-3)12-10-16)20(2)19(21)13-14-23-18-7-5-4-6-8-18/h4-12,15H,13-14H2,1-3H3.
What are the key properties of N-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide?
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide has a molecular weight of 313.40 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)ethyl]-N-methyl-3-phenoxypropanamide is sourced from PubChem (CID 75869937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).