N-benzyl-2-(4-methoxyphenoxy)-N-methylacetamide

C17H19NO3 — CID 887048

IUPACN-benzyl-2-(4-methoxyphenoxy)-N-methylacetamide
SMILESCOc1ccc(OCC(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C17H19NO3/c1-18(12-14-6-4-3-5-7-14)17(19)13-21-16-10-8-15(20-2)9-11-16/h3-11H,12-13H2,1-2H3
InChIKeyOKUZECXZVOWERT-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.73
Rot. Bonds6

About N-benzyl-2-(4-methoxyphenoxy)-N-methylacetamide

N-benzyl-2-(4-methoxyphenoxy)-N-methylacetamide (PubChem CID 887048) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is N-benzyl-2-(4-methoxyphenoxy)-N-methylacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-methoxyphenoxy)-N-methylacetamide
PubChem CID887048
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC NameN-benzyl-2-(4-methoxyphenoxy)-N-methylacetamide
SMILESCOc1ccc(OCC(=O)N(C)Cc2ccccc2)cc1
InChIInChI=1S/C17H19NO3/c1-18(12-14-6-4-3-5-7-14)17(19)13-21-16-10-8-15(20-2)9-11-16/h3-11H,12-13H2,1-2H3
InChIKeyOKUZECXZVOWERT-UHFFFAOYSA-N
XLogP2.73
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Bephenium
CID 19667
Beflubutamid
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N-benzyl-2-(4-tert-butylphenoxy)-N-methylacetamide
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N-benzyl-2-phenoxyacetamide
CID 309669
N-(4-benzyloxybenzyl)acetohydroxamic acid
CID 129265
N-(4-methoxybenzyl)-2-(4-methoxyphenoxy)acetamide
CID 748751
N,N-dimethyl-2-(4-phenoxyphenoxy)acetamide
CID 2308064
2-(4-Methoxyphenoxy)-N-(2-phenylethyl)ethanimidic acid
CID 210238
2-(4-ethylphenoxy)-N-(2-phenylethyl)acetamide
CID 673837
N-(2-Methoxy-benzyl)-2-p-tolyloxy-acetamide
CID 684085
N-(2-Methyl-benzyl)-2-phenoxy-acetamide
CID 778125
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-propan-2-ylphenoxy)ethanone
CID 798572

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-methoxyphenoxy)-N-methylacetamide?
The IUPAC name of N-benzyl-2-(4-methoxyphenoxy)-N-methylacetamide (CID 887048) is N-benzyl-2-(4-methoxyphenoxy)-N-methylacetamide.
What is the SMILES notation for N-benzyl-2-(4-methoxyphenoxy)-N-methylacetamide?
The canonical SMILES for N-benzyl-2-(4-methoxyphenoxy)-N-methylacetamide is COc1ccc(OCC(=O)N(C)Cc2ccccc2)cc1.
What is the InChIKey of N-benzyl-2-(4-methoxyphenoxy)-N-methylacetamide?
The InChIKey is OKUZECXZVOWERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-18(12-14-6-4-3-5-7-14)17(19)13-21-16-10-8-15(20-2)9-11-16/h3-11H,12-13H2,1-2H3.
What are the key properties of N-benzyl-2-(4-methoxyphenoxy)-N-methylacetamide?
N-benzyl-2-(4-methoxyphenoxy)-N-methylacetamide has a molecular weight of 285.34 g/mol, XLogP of 2.73, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-methoxyphenoxy)-N-methylacetamide is sourced from PubChem (CID 887048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).