N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylbutanamide

C15H23NO2 — CID 113100718

IUPACN-[2-(2,6-dimethylphenoxy)ethyl]-3-methylbutanamide
SMILESCc1cccc(C)c1OCCNC(=O)CC(C)C
InChIInChI=1S/C15H23NO2/c1-11(2)10-14(17)16-8-9-18-15-12(3)6-5-7-13(15)4/h5-7,11H,8-10H2,1-4H3,(H,16,17)
InChIKeyQVYOFHMLJOUIKF-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.84
Rot. Bonds6

About N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylbutanamide

N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylbutanamide (PubChem CID 113100718) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylphenoxy)ethyl]-3-methylbutanamide
PubChem CID113100718
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC NameN-[2-(2,6-dimethylphenoxy)ethyl]-3-methylbutanamide
SMILESCc1cccc(C)c1OCCNC(=O)CC(C)C
InChIInChI=1S/C15H23NO2/c1-11(2)10-14(17)16-8-9-18-15-12(3)6-5-7-13(15)4/h5-7,11H,8-10H2,1-4H3,(H,16,17)
InChIKeyQVYOFHMLJOUIKF-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.84
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

1-[3-(2,6-dimethylphenoxy)propyl]-3-(2-methylpropyl)urea
CID 108881582
N-[2-(3-methoxyphenoxy)ethyl]-3-methylbutanamide
CID 113099793
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 47216835
2-amino-N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylpentanamide;hydrochloride
CID 119734945
3-(2,6-dimethylphenoxy)propylurea
CID 119091227
2-[cyclopropyl(1-cyclopropylethyl)amino]-N-[2-(2,6-dimethylphenoxy)ethyl]acetamide
CID 78896740
cis-(1R,2S)-N-[2-[2-(2,6-dimethylphenoxy)ethylamino]-2-oxoethyl]-2-methylcyclopropane-1-carboxamide
CID 94184091
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(4-hydroxy-2-methylpentyl)urea
CID 111454636
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[2-(2,6-dimethylphenoxy)ethyl]propanamide
CID 55716936
N-[2-[(2-chloroacetyl)amino]ethyl]-4-(2,6-dimethylphenoxy)butanamide
CID 108572936
3-(2,6-dimethylphenoxy)-N-(4-hydroxybutyl)propanamide
CID 106843337
N-(2-acetamidoethyl)-4-(2,6-dimethylphenoxy)butanamide
CID 108572937

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylbutanamide?
The IUPAC name of N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylbutanamide (CID 113100718) is N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylbutanamide?
The canonical SMILES for N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylbutanamide is Cc1cccc(C)c1OCCNC(=O)CC(C)C.
What is the InChIKey of N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylbutanamide?
The InChIKey is QVYOFHMLJOUIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-11(2)10-14(17)16-8-9-18-15-12(3)6-5-7-13(15)4/h5-7,11H,8-10H2,1-4H3,(H,16,17).
What are the key properties of N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylbutanamide?
N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylbutanamide has a molecular weight of 249.35 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylphenoxy)ethyl]-3-methylbutanamide is sourced from PubChem (CID 113100718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).