N-[2-(4-acetylphenoxy)ethyl]-N-methylacetamide

C13H17NO3 — CID 82037432

IUPACN-[2-(4-acetylphenoxy)ethyl]-N-methylacetamide
SMILESCC(=O)c1ccc(OCCN(C)C(C)=O)cc1
InChIInChI=1S/C13H17NO3/c1-10(15)12-4-6-13(7-5-12)17-9-8-14(3)11(2)16/h4-7H,8-9H2,1-3H3
InChIKeyCXTLYTBKFBEQEH-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.75
Rot. Bonds5

About N-[2-(4-acetylphenoxy)ethyl]-N-methylacetamide

N-[2-(4-acetylphenoxy)ethyl]-N-methylacetamide (PubChem CID 82037432) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is N-[2-(4-acetylphenoxy)ethyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(4-acetylphenoxy)ethyl]-N-methylacetamide
PubChem CID82037432
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC NameN-[2-(4-acetylphenoxy)ethyl]-N-methylacetamide
SMILESCC(=O)c1ccc(OCCN(C)C(C)=O)cc1
InChIInChI=1S/C13H17NO3/c1-10(15)12-4-6-13(7-5-12)17-9-8-14(3)11(2)16/h4-7H,8-9H2,1-3H3
InChIKeyCXTLYTBKFBEQEH-UHFFFAOYSA-N
XLogP1.75
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl N-[4-[2-[acetyl(methyl)amino]ethoxy]phenyl]carbamate
CID 110459527
1-[4-[2-[bis(prop-2-enyl)amino]ethoxy]phenyl]ethanone
CID 71386650
N-methyl-N-(3-phenoxypropyl)acetamide
CID 60757278
1-[4-[3-(diethylamino)propoxy]phenyl]ethanone;methane
CID 161301503
4-acetyl-N-methyl-N-[2-(4-methylphenoxy)ethyl]benzenesulfonamide
CID 4789847
1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone
CID 20752101
N-[2-(3-methoxyphenoxy)ethyl]-N-methylacetamide
CID 118193850
2-[4-(4-acetylphenoxy)butanoyl-methylamino]acetic acid
CID 119171961
1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone
CID 59457885
2-(4-acetylphenoxy)ethylboronic acid
CID 130141835
1-(4-acetylphenyl)-3-(4-methoxyphenoxy)propan-1-one
CID 163833634
1-(4-but-3-ynoxyphenyl)ethanone
CID 24705601

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-acetylphenoxy)ethyl]-N-methylacetamide?
The IUPAC name of N-[2-(4-acetylphenoxy)ethyl]-N-methylacetamide (CID 82037432) is N-[2-(4-acetylphenoxy)ethyl]-N-methylacetamide.
What is the SMILES notation for N-[2-(4-acetylphenoxy)ethyl]-N-methylacetamide?
The canonical SMILES for N-[2-(4-acetylphenoxy)ethyl]-N-methylacetamide is CC(=O)c1ccc(OCCN(C)C(C)=O)cc1.
What is the InChIKey of N-[2-(4-acetylphenoxy)ethyl]-N-methylacetamide?
The InChIKey is CXTLYTBKFBEQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-10(15)12-4-6-13(7-5-12)17-9-8-14(3)11(2)16/h4-7H,8-9H2,1-3H3.
What are the key properties of N-[2-(4-acetylphenoxy)ethyl]-N-methylacetamide?
N-[2-(4-acetylphenoxy)ethyl]-N-methylacetamide has a molecular weight of 235.28 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-acetylphenoxy)ethyl]-N-methylacetamide is sourced from PubChem (CID 82037432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).