N-tert-butyl-2-(2,4-dimethylphenoxy)butanamide

C16H25NO2 — CID 53289145

IUPACN-tert-butyl-2-(2,4-dimethylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1C)C(=O)NC(C)(C)C
InChIInChI=1S/C16H25NO2/c1-7-13(15(18)17-16(4,5)6)19-14-9-8-11(2)10-12(14)3/h8-10,13H,7H2,1-6H3,(H,17,18)
InChIKeyBGUNWYTVYZCHRX-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.38
Rot. Bonds4

About N-tert-butyl-2-(2,4-dimethylphenoxy)butanamide

N-tert-butyl-2-(2,4-dimethylphenoxy)butanamide (PubChem CID 53289145) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is N-tert-butyl-2-(2,4-dimethylphenoxy)butanamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2,4-dimethylphenoxy)butanamide
PubChem CID53289145
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC NameN-tert-butyl-2-(2,4-dimethylphenoxy)butanamide
SMILESCCC(Oc1ccc(C)cc1C)C(=O)NC(C)(C)C
InChIInChI=1S/C16H25NO2/c1-7-13(15(18)17-16(4,5)6)19-14-9-8-11(2)10-12(14)3/h8-10,13H,7H2,1-6H3,(H,17,18)
InChIKeyBGUNWYTVYZCHRX-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dimethylphenoxy)-N-ethylbutanamide
CID 53289122
2-(2,4-dimethylphenoxy)-N-propylbutanamide
CID 20682013
2-(2,4-dimethylphenoxy)-N-propan-2-ylbutanamide
CID 53289143
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4-dimethylphenyl)butanamide
CID 99133066
2-(2,4-dimethylphenoxy)-N-(4-methylphenyl)butanamide
CID 53288910
(2S)-2-(2,4-dimethylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]butanamide
CID 99133147
3-(2,4-dimethylphenoxy)pentan-2-one
CID 54360521
(2S)-N-tert-butyl-2-(3-methylphenoxy)butanamide
CID 92672891
2-(2,4-dimethylphenoxy)-N-(2,6-dimethylphenyl)butanamide
CID 53288935
(2R)-2-(2,4-dimethylphenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 99133094
2-(2,4-dimethylphenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 132651179
2-(2,4-dimethylphenoxy)-N-[(2-methylphenyl)methyl]butanamide
CID 14211244

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2,4-dimethylphenoxy)butanamide?
The IUPAC name of N-tert-butyl-2-(2,4-dimethylphenoxy)butanamide (CID 53289145) is N-tert-butyl-2-(2,4-dimethylphenoxy)butanamide.
What is the SMILES notation for N-tert-butyl-2-(2,4-dimethylphenoxy)butanamide?
The canonical SMILES for N-tert-butyl-2-(2,4-dimethylphenoxy)butanamide is CCC(Oc1ccc(C)cc1C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-(2,4-dimethylphenoxy)butanamide?
The InChIKey is BGUNWYTVYZCHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-7-13(15(18)17-16(4,5)6)19-14-9-8-11(2)10-12(14)3/h8-10,13H,7H2,1-6H3,(H,17,18).
What are the key properties of N-tert-butyl-2-(2,4-dimethylphenoxy)butanamide?
N-tert-butyl-2-(2,4-dimethylphenoxy)butanamide has a molecular weight of 263.38 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2,4-dimethylphenoxy)butanamide is sourced from PubChem (CID 53289145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).