2-acetamido-2-ethylbutanoic acid;1-methoxy-2,4-dimethylbenzene

C17H27NO4 — CID 174324695

IUPAC2-acetamido-2-ethylbutanoic acid;1-methoxy-2,4-dimethylbenzene
SMILESCCC(CC)(NC(C)=O)C(=O)O.COc1ccc(C)cc1C
InChIInChI=1S/C9H12O.C8H15NO3/c1-7-4-5-9(10-3)8(2)6-7;1-4-8(5-2,7(11)12)9-6(3)10/h4-6H,1-3H3;4-5H2,1-3H3,(H,9,10)(H,11,12)
InChIKeyYQXNLKDTAGVVSE-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.08
Rot. Bonds5

About 2-acetamido-2-ethylbutanoic acid;1-methoxy-2,4-dimethylbenzene

2-acetamido-2-ethylbutanoic acid;1-methoxy-2,4-dimethylbenzene (PubChem CID 174324695) has the molecular formula C17H27NO4 and a molecular weight of 309.41 g/mol. Its IUPAC name is 2-acetamido-2-ethylbutanoic acid;1-methoxy-2,4-dimethylbenzene.

Molecular Properties

Compound Name2-acetamido-2-ethylbutanoic acid;1-methoxy-2,4-dimethylbenzene
PubChem CID174324695
Molecular FormulaC17H27NO4
Molecular Weight309.41 g/mol
Exact Mass309.19
IUPAC Name2-acetamido-2-ethylbutanoic acid;1-methoxy-2,4-dimethylbenzene
SMILESCCC(CC)(NC(C)=O)C(=O)O.COc1ccc(C)cc1C
InChIInChI=1S/C9H12O.C8H15NO3/c1-7-4-5-9(10-3)8(2)6-7;1-4-8(5-2,7(11)12)9-6(3)10/h4-6H,1-3H3;4-5H2,1-3H3,(H,9,10)(H,11,12)
InChIKeyYQXNLKDTAGVVSE-UHFFFAOYSA-N
XLogP3.08
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-[(2-methoxy-5-methylbenzoyl)amino]butanoic acid
CID 79806703
ethyl acetate;1-methoxy-2,4-dimethylbenzene
CID 174810221
1-methoxy-2,4-dimethylbenzene;propane
CID 54037455
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
2-[(3-bromo-4-methoxybenzoyl)amino]-2-ethylbutanoic acid
CID 79807070
methyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2-ethylbutanoate
CID 19975296
2-(2-methoxy-4-methylphenoxy)-2-methylbutanoic acid
CID 114990557
2-ethyl-2-[[2-(4-methoxy-2-methylphenyl)acetyl]amino]butanoic acid
CID 54464746
2-(2,4-dimethylphenoxy)-N-[1-(4-methoxy-3-methylphenyl)propyl]propanamide
CID 133178453
2-(ethylamino)-2-(2-methoxy-5-methylphenyl)propanoic acid
CID 43753817
2-[3-(2-methoxy-5-methylphenyl)prop-2-enoylamino]-2-methylbutanoic acid
CID 79790035
2-(2,4-dimethylphenoxy)-N-[(1R)-1-(4-methoxy-3-methylphenyl)propyl]acetamide
CID 100761254

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-ethylbutanoic acid;1-methoxy-2,4-dimethylbenzene?
The IUPAC name of 2-acetamido-2-ethylbutanoic acid;1-methoxy-2,4-dimethylbenzene (CID 174324695) is 2-acetamido-2-ethylbutanoic acid;1-methoxy-2,4-dimethylbenzene.
What is the SMILES notation for 2-acetamido-2-ethylbutanoic acid;1-methoxy-2,4-dimethylbenzene?
The canonical SMILES for 2-acetamido-2-ethylbutanoic acid;1-methoxy-2,4-dimethylbenzene is CCC(CC)(NC(C)=O)C(=O)O.COc1ccc(C)cc1C.
What is the InChIKey of 2-acetamido-2-ethylbutanoic acid;1-methoxy-2,4-dimethylbenzene?
The InChIKey is YQXNLKDTAGVVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C8H15NO3/c1-7-4-5-9(10-3)8(2)6-7;1-4-8(5-2,7(11)12)9-6(3)10/h4-6H,1-3H3;4-5H2,1-3H3,(H,9,10)(H,11,12).
What are the key properties of 2-acetamido-2-ethylbutanoic acid;1-methoxy-2,4-dimethylbenzene?
2-acetamido-2-ethylbutanoic acid;1-methoxy-2,4-dimethylbenzene has a molecular weight of 309.41 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-ethylbutanoic acid;1-methoxy-2,4-dimethylbenzene is sourced from PubChem (CID 174324695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).