N-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide

C12H17NO3 — CID 118193850

IUPACN-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide
SMILESCOc1cccc(OCCN(C)C(C)=O)c1
InChIInChI=1S/C12H17NO3/c1-10(14)13(2)7-8-16-12-6-4-5-11(9-12)15-3/h4-6,9H,7-8H2,1-3H3
InChIKeyHVPKKQJZQRIHSG-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.55
Rot. Bonds5

About N-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide

N-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide (PubChem CID 118193850) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is N-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide
PubChem CID118193850
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC NameN-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide
SMILESCOc1cccc(OCCN(C)C(C)=O)c1
InChIInChI=1S/C12H17NO3/c1-10(14)13(2)7-8-16-12-6-4-5-11(9-12)15-3/h4-6,9H,7-8H2,1-3H3
InChIKeyHVPKKQJZQRIHSG-UHFFFAOYSA-N
XLogP1.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-formylphenoxy)ethyl]-N-methylacetamide
CID 82037059
2-(3-methoxyphenoxy)-N,N-dimethylethanamine
CID 10081369
N-[2-(3-methoxyphenyl)ethyl]-N-methylacetamide
CID 115191366
3-(3-methoxyphenoxy)-N,N-dimethylpropan-1-amine;oxalic acid
CID 2935713
N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 27446793
2-[3-(3-methoxyphenoxy)propanoyl-methylamino]acetic acid
CID 110837124
2-(3-methoxyphenyl)-N-methyl-N-(2-phenoxyethyl)acetamide
CID 78781283
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
1-[2-(4-methoxyphenoxy)ethyl]-3-(3-methoxyphenyl)-1-methylurea
CID 51328279
3-(4-ethylsulfanylphenyl)-1-[2-(3-methoxyphenoxy)ethyl]-1-methylurea
CID 72854209
N-[2-(4-acetylphenoxy)ethyl]-N-methylacetamide
CID 82037432
N-[2-(dimethylamino)ethyl]-4-(3-methoxyphenoxy)butanamide
CID 110486942

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide?
The IUPAC name of N-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide (CID 118193850) is N-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide is COc1cccc(OCCN(C)C(C)=O)c1.
What is the InChIKey of N-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide?
The InChIKey is HVPKKQJZQRIHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-10(14)13(2)7-8-16-12-6-4-5-11(9-12)15-3/h4-6,9H,7-8H2,1-3H3.
What are the key properties of N-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide?
N-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide has a molecular weight of 223.27 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide is sourced from PubChem (CID 118193850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).