2-(2,5-dimethylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide

C17H27NO2 — CID 103843830

IUPAC2-(2,5-dimethylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide
SMILESCCC(CC)(CO)CNC(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C17H27NO2/c1-5-17(6-2,12-19)11-18-16(20)10-15-9-13(3)7-8-14(15)4/h7-9,19H,5-6,10-12H2,1-4H3,(H,18,20)
InChIKeyHEOZPFIMCWWCJV-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.76
Rot. Bonds7

About 2-(2,5-dimethylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide

2-(2,5-dimethylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide (PubChem CID 103843830) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(2,5-dimethylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide
PubChem CID103843830
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name2-(2,5-dimethylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide
SMILESCCC(CC)(CO)CNC(=O)Cc1cc(C)ccc1C
InChIInChI=1S/C17H27NO2/c1-5-17(6-2,12-19)11-18-16(20)10-15-9-13(3)7-8-14(15)4/h7-9,19H,5-6,10-12H2,1-4H3,(H,18,20)
InChIKeyHEOZPFIMCWWCJV-UHFFFAOYSA-N
XLogP2.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-2-(2,5-dimethylphenyl)acetamide
CID 113462787
N-(2-amino-2-ethylbutyl)-2-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119643056
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2,5-dimethylphenyl)acetamide
CID 107845976
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-methoxy-5-methylbenzamide
CID 103843624
(E)-3-(2,4-dimethylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]prop-2-enamide
CID 103843227
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-thiophen-3-ylacetamide
CID 113331516
(2S)-4-[[2-(2,5-dimethylphenyl)acetyl]amino]-2-hydroxybutanoic acid
CID 114006651
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 103843449
3-(3-chloro-4-methylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]propanamide
CID 103843609
N-(2-bromoprop-2-enyl)-2-(2,5-dimethylphenyl)acetamide
CID 115609084
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,6-difluoro-3-methylbenzamide
CID 103878793
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,5-dimethylbenzenesulfonamide
CID 103844815

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide (CID 103843830) is 2-(2,5-dimethylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide is CCC(CC)(CO)CNC(=O)Cc1cc(C)ccc1C.
What is the InChIKey of 2-(2,5-dimethylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide?
The InChIKey is HEOZPFIMCWWCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-5-17(6-2,12-19)11-18-16(20)10-15-9-13(3)7-8-14(15)4/h7-9,19H,5-6,10-12H2,1-4H3,(H,18,20).
What are the key properties of 2-(2,5-dimethylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide?
2-(2,5-dimethylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide has a molecular weight of 277.41 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenyl)-N-[2-ethyl-2-(hydroxymethyl)butyl]acetamide is sourced from PubChem (CID 103843830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).