N-methyl-N-[2-(4-phenoxyphenyl)ethyl]acetamide

C17H19NO2 — CID 115191288

IUPACN-methyl-N-[2-(4-phenoxyphenyl)ethyl]acetamide
SMILESCC(=O)N(C)CCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-14(19)18(2)13-12-15-8-10-17(11-9-15)20-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3
InChIKeyJCMFAHFZVMUCPZ-UHFFFAOYSA-N
MW269.34 g/mol
LogP3.50
Rot. Bonds5

About N-methyl-N-[2-(4-phenoxyphenyl)ethyl]acetamide

N-methyl-N-[2-(4-phenoxyphenyl)ethyl]acetamide (PubChem CID 115191288) has the molecular formula C17H19NO2 and a molecular weight of 269.34 g/mol. Its IUPAC name is N-methyl-N-[2-(4-phenoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[2-(4-phenoxyphenyl)ethyl]acetamide
PubChem CID115191288
Molecular FormulaC17H19NO2
Molecular Weight269.34 g/mol
Exact Mass269.14
IUPAC NameN-methyl-N-[2-(4-phenoxyphenyl)ethyl]acetamide
SMILESCC(=O)N(C)CCc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C17H19NO2/c1-14(19)18(2)13-12-15-8-10-17(11-9-15)20-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3
InChIKeyJCMFAHFZVMUCPZ-UHFFFAOYSA-N
XLogP3.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 115191366
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
N-methyl-N-[2-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 115191266
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenoxybenzamide
CID 9468502
N-methyl-N-[2-[4-(1,1,2,2-tetrafluoro-2-trimethylsilylethoxy)phenyl]ethyl]acetamide
CID 165047980
tert-butyl N-methyl-N-[2-[4-(3-methylphenoxy)phenyl]ethyl]carbamate
CID 67952576
N-methyl-4-phenoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 78796251
N-[2-(4-ethylsulfanylphenyl)ethyl]-N-methylacetamide
CID 115191334
(2R)-2-hydroxy-N-methyl-N-[(4-phenoxyphenyl)methyl]propanamide
CID 70764862
3-[4-[(4-phenoxyphenyl)methyl]phenyl]propanoic acid
CID 11659982
3-[2-[acetyl(methyl)amino]ethyl]benzoic acid
CID 167729941
ethane;N-methyl-N-(2-phenylethyl)benzamide
CID 143447769

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(4-phenoxyphenyl)ethyl]acetamide?
The IUPAC name of N-methyl-N-[2-(4-phenoxyphenyl)ethyl]acetamide (CID 115191288) is N-methyl-N-[2-(4-phenoxyphenyl)ethyl]acetamide.
What is the SMILES notation for N-methyl-N-[2-(4-phenoxyphenyl)ethyl]acetamide?
The canonical SMILES for N-methyl-N-[2-(4-phenoxyphenyl)ethyl]acetamide is CC(=O)N(C)CCc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of N-methyl-N-[2-(4-phenoxyphenyl)ethyl]acetamide?
The InChIKey is JCMFAHFZVMUCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2/c1-14(19)18(2)13-12-15-8-10-17(11-9-15)20-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3.
What are the key properties of N-methyl-N-[2-(4-phenoxyphenyl)ethyl]acetamide?
N-methyl-N-[2-(4-phenoxyphenyl)ethyl]acetamide has a molecular weight of 269.34 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(4-phenoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 115191288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).