2-acetamido-N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethylbutanamide

C18H28N2O3 — CID 18119674

IUPAC2-acetamido-N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethylbutanamide
SMILESCC(=O)NC(C(=O)N(C)CCOc1cc(C)cc(C)c1)C(C)C
InChIInChI=1S/C18H28N2O3/c1-12(2)17(19-15(5)21)18(22)20(6)7-8-23-16-10-13(3)9-14(4)11-16/h9-12,17H,7-8H2,1-6H3,(H,19,21)
InChIKeySKLHHIGBXAAKOY-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.30
Rot. Bonds7

About 2-acetamido-N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethylbutanamide

2-acetamido-N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethylbutanamide (PubChem CID 18119674) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 2-acetamido-N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name2-acetamido-N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethylbutanamide
PubChem CID18119674
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name2-acetamido-N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethylbutanamide
SMILESCC(=O)NC(C(=O)N(C)CCOc1cc(C)cc(C)c1)C(C)C
InChIInChI=1S/C18H28N2O3/c1-12(2)17(19-15(5)21)18(22)20(6)7-8-23-16-10-13(3)9-14(4)11-16/h9-12,17H,7-8H2,1-6H3,(H,19,21)
InChIKeySKLHHIGBXAAKOY-UHFFFAOYSA-N
XLogP2.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-2-(methylamino)propanamide
CID 62639499
N-[2-(3,5-dimethylphenoxy)ethyl]-2,2-difluoro-N-methylacetamide
CID 113219438
2-(azetidin-3-yl)-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylpropanamide
CID 116676227
N-[(2S)-1-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 31284995
(2S,3S)-2-[[2-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-2-oxoethyl]amino]-3-methylpentanoic acid
CID 122100129
2-acetamido-N,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
CID 18114298
2-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N-methylacetamide
CID 54869826
(2S)-2-acetamido-N-[(2,4-dimethylphenyl)methyl]-N,3-dimethylbutanamide
CID 30796588
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 55650177
methyl 3-[2-(3,5-dimethylphenoxy)ethyl-methylamino]-2-methylpropanoate
CID 60682012
5-amino-N-[2-(3,5-dimethylphenoxy)ethyl]-N,4-dimethylpentanamide
CID 82013924
2-acetamido-N-(2-hydroxypropyl)-N,3-dimethylbutanamide
CID 62334399

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethylbutanamide?
The IUPAC name of 2-acetamido-N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethylbutanamide (CID 18119674) is 2-acetamido-N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethylbutanamide.
What is the SMILES notation for 2-acetamido-N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethylbutanamide?
The canonical SMILES for 2-acetamido-N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethylbutanamide is CC(=O)NC(C(=O)N(C)CCOc1cc(C)cc(C)c1)C(C)C.
What is the InChIKey of 2-acetamido-N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethylbutanamide?
The InChIKey is SKLHHIGBXAAKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-12(2)17(19-15(5)21)18(22)20(6)7-8-23-16-10-13(3)9-14(4)11-16/h9-12,17H,7-8H2,1-6H3,(H,19,21).
What are the key properties of 2-acetamido-N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethylbutanamide?
2-acetamido-N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethylbutanamide has a molecular weight of 320.43 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethylbutanamide is sourced from PubChem (CID 18119674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).