N-[1-(3-ethoxyphenyl)propan-2-yl]-N-methylacetamide

C14H21NO2 — CID 547381

IUPACN-[1-(3-ethoxyphenyl)propan-2-yl]-N-methylacetamide
SMILESCCOc1cccc(CC(C)N(C)C(C)=O)c1
InChIInChI=1S/C14H21NO2/c1-5-17-14-8-6-7-13(10-14)9-11(2)15(4)12(3)16/h6-8,10-11H,5,9H2,1-4H3
InChIKeyWFLRDSOBIJNUBS-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.49
Rot. Bonds5

About N-[1-(3-ethoxyphenyl)propan-2-yl]-N-methylacetamide

N-[1-(3-ethoxyphenyl)propan-2-yl]-N-methylacetamide (PubChem CID 547381) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[1-(3-ethoxyphenyl)propan-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(3-ethoxyphenyl)propan-2-yl]-N-methylacetamide
PubChem CID547381
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN-[1-(3-ethoxyphenyl)propan-2-yl]-N-methylacetamide
SMILESCCOc1cccc(CC(C)N(C)C(C)=O)c1
InChIInChI=1S/C14H21NO2/c1-5-17-14-8-6-7-13(10-14)9-11(2)15(4)12(3)16/h6-8,10-11H,5,9H2,1-4H3
InChIKeyWFLRDSOBIJNUBS-UHFFFAOYSA-N
XLogP2.49
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-ethoxyphenyl)-2-methylpropanoic acid;zinc
CID 175118835
2-[3-(2-aminobutyl)phenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907872
1-(3-ethoxyphenyl)-N-methylpropan-2-amine
CID 547093
methyl 2-(aminomethyl)-3-(3-ethoxyphenyl)propanoate
CID 60872757
2-amino-N-[(3-ethoxyphenyl)methyl]-N-propan-2-ylacetamide
CID 39353229
2-(3-ethoxyphenyl)acetyl chloride
CID 22994163
2-[(3-ethoxyphenyl)methylamino]propanoic acid
CID 61499824
(2R)-4-(3-ethoxyphenyl)butan-2-ol
CID 94920388
2-(4-ethoxy-2-methylphenyl)-3-(3-methoxyphenyl)propanoic acid
CID 83955405
1-(3-ethoxyphenyl)pentan-2-amine
CID 84752930
2-(3-ethoxyphenyl)-3-(3-propoxyphenyl)propanoic acid
CID 83951475
2-amino-N-(3-ethoxyphenyl)-3-phenylpropanamide
CID 60927036

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethoxyphenyl)propan-2-yl]-N-methylacetamide?
The IUPAC name of N-[1-(3-ethoxyphenyl)propan-2-yl]-N-methylacetamide (CID 547381) is N-[1-(3-ethoxyphenyl)propan-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[1-(3-ethoxyphenyl)propan-2-yl]-N-methylacetamide?
The canonical SMILES for N-[1-(3-ethoxyphenyl)propan-2-yl]-N-methylacetamide is CCOc1cccc(CC(C)N(C)C(C)=O)c1.
What is the InChIKey of N-[1-(3-ethoxyphenyl)propan-2-yl]-N-methylacetamide?
The InChIKey is WFLRDSOBIJNUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-17-14-8-6-7-13(10-14)9-11(2)15(4)12(3)16/h6-8,10-11H,5,9H2,1-4H3.
What are the key properties of N-[1-(3-ethoxyphenyl)propan-2-yl]-N-methylacetamide?
N-[1-(3-ethoxyphenyl)propan-2-yl]-N-methylacetamide has a molecular weight of 235.33 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-ethoxyphenyl)propan-2-yl]-N-methylacetamide is sourced from PubChem (CID 547381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).