2-methoxy-1,3-dimethylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate

C19H31NO4 — CID 174336215

IUPAC2-methoxy-1,3-dimethylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate
SMILESCCC(C)C(C)(NC(C)=O)C(=O)OC.COc1c(C)cccc1C
InChIInChI=1S/C10H19NO3.C9H12O/c1-6-7(2)10(4,9(13)14-5)11-8(3)12;1-7-5-4-6-8(2)9(7)10-3/h7H,6H2,1-5H3,(H,11,12);4-6H,1-3H3
InChIKeySXKIMXPYUPZKDQ-UHFFFAOYSA-N
MW337.46 g/mol
LogP3.41
Rot. Bonds5

About 2-methoxy-1,3-dimethylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate

2-methoxy-1,3-dimethylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate (PubChem CID 174336215) has the molecular formula C19H31NO4 and a molecular weight of 337.46 g/mol. Its IUPAC name is 2-methoxy-1,3-dimethylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate.

Molecular Properties

Compound Name2-methoxy-1,3-dimethylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate
PubChem CID174336215
Molecular FormulaC19H31NO4
Molecular Weight337.46 g/mol
Exact Mass337.23
IUPAC Name2-methoxy-1,3-dimethylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate
SMILESCCC(C)C(C)(NC(C)=O)C(=O)OC.COc1c(C)cccc1C
InChIInChI=1S/C10H19NO3.C9H12O/c1-6-7(2)10(4,9(13)14-5)11-8(3)12;1-7-5-4-6-8(2)9(7)10-3/h7H,6H2,1-5H3,(H,11,12);4-6H,1-3H3
InChIKeySXKIMXPYUPZKDQ-UHFFFAOYSA-N
XLogP3.41
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-2-methylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate
CID 174335158
2-acetamido-2-methylpentanoic acid;2-methoxy-1,3-dimethylbenzene
CID 174334450
2-methoxy-1,3-dimethylbenzene;2-methylbutan-1-ol
CID 66965840
methyl 2-acetamido-3-hydroxy-2-methyl-3-phenylpropanoate
CID 3841586
ethyl 2-(2-methoxy-3-methylphenyl)-2-methylpropanoate
CID 105497849
ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2,3-dimethylpentanoate
CID 19975275
methyl (2S,3S)-2-acetamido-3-hydroxy-2,4-dimethylpentanoate
CID 11424486
methyl 4-(2,6-dimethylphenoxy)-2,2-dimethyl-3-oxobutanoate
CID 112752330
methyl (2R,3S)-2-acetamido-3-acetyloxy-2-methyl-3-phenylpropanoate
CID 40521530
ethane;N-ethyl-2-methoxy-3-methylaniline;2-methylpropane
CID 143611271
2-acetamido-2-ethylbutanoic acid;1,2,3-trimethylbenzene
CID 67885235
methyl (2S,3S)-2-benzamido-3-ethoxy-2-methylbutanoate
CID 101027737

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,3-dimethylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate?
The IUPAC name of 2-methoxy-1,3-dimethylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate (CID 174336215) is 2-methoxy-1,3-dimethylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate.
What is the SMILES notation for 2-methoxy-1,3-dimethylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate?
The canonical SMILES for 2-methoxy-1,3-dimethylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate is CCC(C)C(C)(NC(C)=O)C(=O)OC.COc1c(C)cccc1C.
What is the InChIKey of 2-methoxy-1,3-dimethylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate?
The InChIKey is SXKIMXPYUPZKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.C9H12O/c1-6-7(2)10(4,9(13)14-5)11-8(3)12;1-7-5-4-6-8(2)9(7)10-3/h7H,6H2,1-5H3,(H,11,12);4-6H,1-3H3.
What are the key properties of 2-methoxy-1,3-dimethylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate?
2-methoxy-1,3-dimethylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate has a molecular weight of 337.46 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,3-dimethylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate is sourced from PubChem (CID 174336215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).