4-(2-methoxy-N-methylanilino)-2,2-dimethylbutanoic acid

C14H21NO3 — CID 65247680

IUPAC4-(2-methoxy-N-methylanilino)-2,2-dimethylbutanoic acid
SMILESCOc1ccccc1N(C)CCC(C)(C)C(=O)O
InChIInChI=1S/C14H21NO3/c1-14(2,13(16)17)9-10-15(3)11-7-5-6-8-12(11)18-4/h5-8H,9-10H2,1-4H3,(H,16,17)
InChIKeySMWFLOQDJJVGED-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.63
Rot. Bonds6

About 4-(2-methoxy-N-methylanilino)-2,2-dimethylbutanoic acid

4-(2-methoxy-N-methylanilino)-2,2-dimethylbutanoic acid (PubChem CID 65247680) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(2-methoxy-N-methylanilino)-2,2-dimethylbutanoic acid.

Molecular Properties

Compound Name4-(2-methoxy-N-methylanilino)-2,2-dimethylbutanoic acid
PubChem CID65247680
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name4-(2-methoxy-N-methylanilino)-2,2-dimethylbutanoic acid
SMILESCOc1ccccc1N(C)CCC(C)(C)C(=O)O
InChIInChI=1S/C14H21NO3/c1-14(2,13(16)17)9-10-15(3)11-7-5-6-8-12(11)18-4/h5-8H,9-10H2,1-4H3,(H,16,17)
InChIKeySMWFLOQDJJVGED-UHFFFAOYSA-N
XLogP2.63
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-4-(2-methoxy-N-methylanilino)-2-methylbutan-1-ol
CID 64791522
2-methoxy-N-methyl-N-propylaniline
CID 23198488
4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoic acid
CID 63053456
2-(ethylamino)-6-(2-methoxy-N-methylanilino)-2-methylhexan-1-ol
CID 64790716
2-(2-methoxy-N-methylanilino)-N-phenylacetamide
CID 47280952
3-(2,5-dimethoxy-N-methylanilino)-2,2-dimethylpropanoic acid
CID 115136466
methyl 4-(2-methoxy-N-methylanilino)-2-(methylamino)butanoate
CID 63053805
5-[(2-methoxy-N-methylanilino)methyl]furan-3-carboxylic acid
CID 62269776
3-amino-N-(2-methoxyphenyl)-N,3-dimethylbutanamide
CID 64678245
3-methoxy-1-(2-methoxy-N-methylanilino)-3-methylbutan-2-ol
CID 114228743
4-fluoro-2-[(2-methoxy-N-methylanilino)methyl]benzoic acid
CID 107907694
2-ethyl-2-[[(2-methoxyphenyl)-methylcarbamoyl]amino]butanoic acid
CID 79815181

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxy-N-methylanilino)-2,2-dimethylbutanoic acid?
The IUPAC name of 4-(2-methoxy-N-methylanilino)-2,2-dimethylbutanoic acid (CID 65247680) is 4-(2-methoxy-N-methylanilino)-2,2-dimethylbutanoic acid.
What is the SMILES notation for 4-(2-methoxy-N-methylanilino)-2,2-dimethylbutanoic acid?
The canonical SMILES for 4-(2-methoxy-N-methylanilino)-2,2-dimethylbutanoic acid is COc1ccccc1N(C)CCC(C)(C)C(=O)O.
What is the InChIKey of 4-(2-methoxy-N-methylanilino)-2,2-dimethylbutanoic acid?
The InChIKey is SMWFLOQDJJVGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-14(2,13(16)17)9-10-15(3)11-7-5-6-8-12(11)18-4/h5-8H,9-10H2,1-4H3,(H,16,17).
What are the key properties of 4-(2-methoxy-N-methylanilino)-2,2-dimethylbutanoic acid?
4-(2-methoxy-N-methylanilino)-2,2-dimethylbutanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxy-N-methylanilino)-2,2-dimethylbutanoic acid is sourced from PubChem (CID 65247680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).