N-[2-(3,4-dimethylphenoxy)ethyl]-2-ethylbutanamide

C16H25NO2 — CID 113101021

IUPACN-[2-(3,4-dimethylphenoxy)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCOc1ccc(C)c(C)c1
InChIInChI=1S/C16H25NO2/c1-5-14(6-2)16(18)17-9-10-19-15-8-7-12(3)13(4)11-15/h7-8,11,14H,5-6,9-10H2,1-4H3,(H,17,18)
InChIKeyJLNCVUWHQVXHJG-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.23
Rot. Bonds7

About N-[2-(3,4-dimethylphenoxy)ethyl]-2-ethylbutanamide

N-[2-(3,4-dimethylphenoxy)ethyl]-2-ethylbutanamide (PubChem CID 113101021) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[2-(3,4-dimethylphenoxy)ethyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylphenoxy)ethyl]-2-ethylbutanamide
PubChem CID113101021
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-[2-(3,4-dimethylphenoxy)ethyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)NCCOc1ccc(C)c(C)c1
InChIInChI=1S/C16H25NO2/c1-5-14(6-2)16(18)17-9-10-19-15-8-7-12(3)13(4)11-15/h7-8,11,14H,5-6,9-10H2,1-4H3,(H,17,18)
InChIKeyJLNCVUWHQVXHJG-UHFFFAOYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.23
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

2-ethyl-N-[2-(3-methoxyphenoxy)ethyl]butanamide
CID 113099794
2-ethyl-N-[2-(4-propan-2-ylphenoxy)ethyl]butanamide
CID 113100320
2-(3,4-dimethylphenoxy)-N-(2-phenoxyethyl)butanamide
CID 133240011
N-[2-(3,4-dimethylphenoxy)ethyl]-2-phenoxypropanamide
CID 133210994
4-tert-butyl-N-[2-(3,4-dimethylphenoxy)ethyl]benzamide
CID 2225637
2-(3,4-dimethylphenoxy)-N-[2-(4-ethylphenoxy)ethyl]propanamide
CID 133211029
1-[2-(3,4-dimethylphenoxy)ethyl]-3-(3,4-dimethylphenyl)urea
CID 112974155
2-(4-bromophenyl)-N-[2-(3,4-dimethylphenoxy)ethyl]acetamide
CID 113101041
(2S,3S)-2-[3-(3,4-dimethylphenoxy)propylamino]-3-methylpentanoic acid
CID 122100137
N-[2-(3,4-dimethylphenoxy)ethyl]-4-ethoxy-3-methylbenzamide
CID 100560116
N-[2-(3,4-dimethylphenoxy)ethyl]-2-naphthalen-1-ylacetamide
CID 2222927
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)butanamide
CID 133229474

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-2-ethylbutanamide?
The IUPAC name of N-[2-(3,4-dimethylphenoxy)ethyl]-2-ethylbutanamide (CID 113101021) is N-[2-(3,4-dimethylphenoxy)ethyl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-(3,4-dimethylphenoxy)ethyl]-2-ethylbutanamide?
The canonical SMILES for N-[2-(3,4-dimethylphenoxy)ethyl]-2-ethylbutanamide is CCC(CC)C(=O)NCCOc1ccc(C)c(C)c1.
What is the InChIKey of N-[2-(3,4-dimethylphenoxy)ethyl]-2-ethylbutanamide?
The InChIKey is JLNCVUWHQVXHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-14(6-2)16(18)17-9-10-19-15-8-7-12(3)13(4)11-15/h7-8,11,14H,5-6,9-10H2,1-4H3,(H,17,18).
What are the key properties of N-[2-(3,4-dimethylphenoxy)ethyl]-2-ethylbutanamide?
N-[2-(3,4-dimethylphenoxy)ethyl]-2-ethylbutanamide has a molecular weight of 263.38 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylphenoxy)ethyl]-2-ethylbutanamide is sourced from PubChem (CID 113101021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).