2-(2,4-dimethylphenoxy)-N-(2,2-dimethylpropyl)propanamide

C16H25NO2 — CID 18724643

IUPAC2-(2,4-dimethylphenoxy)-N-(2,2-dimethylpropyl)propanamide
SMILESCc1ccc(OC(C)C(=O)NCC(C)(C)C)c(C)c1
InChIInChI=1S/C16H25NO2/c1-11-7-8-14(12(2)9-11)19-13(3)15(18)17-10-16(4,5)6/h7-9,13H,10H2,1-6H3,(H,17,18)
InChIKeyGCWXGFFLPQWJIA-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.23
Rot. Bonds4

About 2-(2,4-dimethylphenoxy)-N-(2,2-dimethylpropyl)propanamide

2-(2,4-dimethylphenoxy)-N-(2,2-dimethylpropyl)propanamide (PubChem CID 18724643) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-(2,2-dimethylpropyl)propanamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-(2,2-dimethylpropyl)propanamide
PubChem CID18724643
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-(2,4-dimethylphenoxy)-N-(2,2-dimethylpropyl)propanamide
SMILESCc1ccc(OC(C)C(=O)NCC(C)(C)C)c(C)c1
InChIInChI=1S/C16H25NO2/c1-11-7-8-14(12(2)9-11)19-13(3)15(18)17-10-16(4,5)6/h7-9,13H,10H2,1-6H3,(H,17,18)
InChIKeyGCWXGFFLPQWJIA-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(2S)-butan-2-yl]-2-(2,4-dimethylphenoxy)propanamide
CID 9173478
N-(4-tert-butylphenyl)-2-(2,4-dimethylphenoxy)propanamide
CID 53266783
(2S)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837680
(2R)-2-(2,4-dimethylphenoxy)-N-(2,4,6-trimethylphenyl)propanamide
CID 837681
(2S)-2-(2,4-dimethylphenoxy)-N-[(2S)-3-methylbutan-2-yl]propanamide
CID 100569830
(2R)-2-(2,4-dimethylphenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 124561460
N-[2-(4-chlorophenyl)ethyl]-2-(2,4-dimethylphenoxy)propanamide
CID 133211038
2-(2,4-dimethylphenoxy)-N-(3,5-dimethylphenyl)propanamide
CID 6916117
(2S)-2-(2,4-dimethylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99132322
N-[[4-(diethylamino)phenyl]methyl]-2-(2,4-dimethylphenoxy)propanamide
CID 133163191
(2R)-2-(2,4-dimethylphenoxy)-N-[3-(4-methylpiperazin-1-yl)propyl]propanamide
CID 99972762
2-(2,5-dimethylphenoxy)-N-[6-[2-(2,5-dimethylphenoxy)propanoylamino]hexyl]propanamide
CID 4945104

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-(2,2-dimethylpropyl)propanamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-(2,2-dimethylpropyl)propanamide (CID 18724643) is 2-(2,4-dimethylphenoxy)-N-(2,2-dimethylpropyl)propanamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-(2,2-dimethylpropyl)propanamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-(2,2-dimethylpropyl)propanamide is Cc1ccc(OC(C)C(=O)NCC(C)(C)C)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-(2,2-dimethylpropyl)propanamide?
The InChIKey is GCWXGFFLPQWJIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-11-7-8-14(12(2)9-11)19-13(3)15(18)17-10-16(4,5)6/h7-9,13H,10H2,1-6H3,(H,17,18).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-(2,2-dimethylpropyl)propanamide?
2-(2,4-dimethylphenoxy)-N-(2,2-dimethylpropyl)propanamide has a molecular weight of 263.38 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-(2,2-dimethylpropyl)propanamide is sourced from PubChem (CID 18724643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).