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

C18H29NO4 — CID 174335158

IUPAC1-methoxy-2-methylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate
SMILESCCC(C)C(C)(NC(C)=O)C(=O)OC.COc1ccccc1C
InChIInChI=1S/C10H19NO3.C8H10O/c1-6-7(2)10(4,9(13)14-5)11-8(3)12;1-7-5-3-4-6-8(7)9-2/h7H,6H2,1-5H3,(H,11,12);3-6H,1-2H3
InChIKeyZDBBNZJNSJEHCJ-UHFFFAOYSA-N
MW323.43 g/mol
LogP3.10
Rot. Bonds5

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

1-methoxy-2-methylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate (PubChem CID 174335158) has the molecular formula C18H29NO4 and a molecular weight of 323.43 g/mol. Its IUPAC name is 1-methoxy-2-methylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate.

Molecular Properties

Compound Name1-methoxy-2-methylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate
PubChem CID174335158
Molecular FormulaC18H29NO4
Molecular Weight323.43 g/mol
Exact Mass323.21
IUPAC Name1-methoxy-2-methylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate
SMILESCCC(C)C(C)(NC(C)=O)C(=O)OC.COc1ccccc1C
InChIInChI=1S/C10H19NO3.C8H10O/c1-6-7(2)10(4,9(13)14-5)11-8(3)12;1-7-5-3-4-6-8(7)9-2/h7H,6H2,1-5H3,(H,11,12);3-6H,1-2H3
InChIKeyZDBBNZJNSJEHCJ-UHFFFAOYSA-N
XLogP3.10
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-1,3-dimethylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate
CID 174336215
tris(1-methoxy-2-methylbenzene);propane
CID 158759517
methyl 2-acetamido-3-hydroxy-2-methyl-3-phenylpropanoate
CID 3841586
ethyl 2-[[2-(2,4-dimethylphenyl)acetyl]amino]-2,3-dimethylpentanoate
CID 19975275
methyl (2R,3S)-2-acetamido-3-acetyloxy-2-methyl-3-phenylpropanoate
CID 40521530
methyl 2-[1-(2-methoxyphenyl)propylamino]-2-methylpropanoate
CID 43787124
N-[1-(4-methoxy-3-methylphenyl)propyl]-2-(2-methylphenoxy)propanamide
CID 133166359
(2S)-N-[3-(2-methoxyphenyl)propyl]-2-(2-methylphenoxy)propanamide
CID 92685168
N-(2-hydroxy-2,3-dimethylpentyl)-2-(2-methoxyphenyl)acetamide
CID 111446516
methyl 2-ethyl-2-[[2-(2-methylphenoxy)acetyl]amino]butanoate
CID 100627144
methyl (2S,3S)-2-benzamido-3-ethoxy-2-methylbutanoate
CID 101027737
ethyl 2-hydroxy-4-(2-methoxyphenyl)-2,3-dimethylbutanoate
CID 79308120

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-methylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate?
The IUPAC name of 1-methoxy-2-methylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate (CID 174335158) is 1-methoxy-2-methylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate.
What is the SMILES notation for 1-methoxy-2-methylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate?
The canonical SMILES for 1-methoxy-2-methylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate is CCC(C)C(C)(NC(C)=O)C(=O)OC.COc1ccccc1C.
What is the InChIKey of 1-methoxy-2-methylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate?
The InChIKey is ZDBBNZJNSJEHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.C8H10O/c1-6-7(2)10(4,9(13)14-5)11-8(3)12;1-7-5-3-4-6-8(7)9-2/h7H,6H2,1-5H3,(H,11,12);3-6H,1-2H3.
What are the key properties of 1-methoxy-2-methylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate?
1-methoxy-2-methylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate has a molecular weight of 323.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-methylbenzene;methyl 2-acetamido-2,3-dimethylpentanoate is sourced from PubChem (CID 174335158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).