N-[2-(2,5-dimethylphenoxy)ethyl]acetamide

C12H17NO2 — CID 5298522

IUPACN-[2-(2,5-dimethylphenoxy)ethyl]acetamide
SMILESCC(=O)NCCOc1cc(C)ccc1C
InChIInChI=1S/C12H17NO2/c1-9-4-5-10(2)12(8-9)15-7-6-13-11(3)14/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKeyAYAKTKJZEOSJHS-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.82
Rot. Bonds4

About N-[2-(2,5-dimethylphenoxy)ethyl]acetamide

N-[2-(2,5-dimethylphenoxy)ethyl]acetamide (PubChem CID 5298522) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is N-[2-(2,5-dimethylphenoxy)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethylphenoxy)ethyl]acetamide
PubChem CID5298522
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC NameN-[2-(2,5-dimethylphenoxy)ethyl]acetamide
SMILESCC(=O)NCCOc1cc(C)ccc1C
InChIInChI=1S/C12H17NO2/c1-9-4-5-10(2)12(8-9)15-7-6-13-11(3)14/h4-5,8H,6-7H2,1-3H3,(H,13,14)
InChIKeyAYAKTKJZEOSJHS-UHFFFAOYSA-N
XLogP1.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-chloro-4-methylphenoxy)ethyl]acetamide
CID 71171524
N-[2-(2-bromo-4-methylphenoxy)ethyl]acetamide
CID 3822965
1-[2-(2,5-dimethylphenoxy)ethyl]-3-(3-methylbutyl)urea
CID 112973500
N-[2-(2,5-dimethylphenoxy)ethyl]-2-(2-methylphenoxy)propanamide
CID 133166083
1-[2-(2,5-dimethylphenoxy)ethyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 112973495
3-(2,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010535
N-[2-(2,5-dimethylphenoxy)ethyl]-2-methoxyethanamine;oxalic acid
CID 2865464
3-(2,5-dimethylphenoxy)-N-propylpropanamide
CID 60637796
2-(2-chloro-4-methylphenoxy)ethylcarbamic acid
CID 146277340
1-(4-cyanophenyl)-3-[2-(2,5-dimethylphenoxy)ethyl]urea
CID 112973594
3-(2,5-dimethylphenoxy)-N-[2-(2-fluorophenoxy)ethyl]propanamide
CID 7927608
7-(2,5-dimethylphenoxy)heptanoic acid
CID 39353078

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]acetamide?
The IUPAC name of N-[2-(2,5-dimethylphenoxy)ethyl]acetamide (CID 5298522) is N-[2-(2,5-dimethylphenoxy)ethyl]acetamide.
What is the SMILES notation for N-[2-(2,5-dimethylphenoxy)ethyl]acetamide?
The canonical SMILES for N-[2-(2,5-dimethylphenoxy)ethyl]acetamide is CC(=O)NCCOc1cc(C)ccc1C.
What is the InChIKey of N-[2-(2,5-dimethylphenoxy)ethyl]acetamide?
The InChIKey is AYAKTKJZEOSJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-4-5-10(2)12(8-9)15-7-6-13-11(3)14/h4-5,8H,6-7H2,1-3H3,(H,13,14).
What are the key properties of N-[2-(2,5-dimethylphenoxy)ethyl]acetamide?
N-[2-(2,5-dimethylphenoxy)ethyl]acetamide has a molecular weight of 207.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethylphenoxy)ethyl]acetamide is sourced from PubChem (CID 5298522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).