2-(5-ethyl-2-methoxy-N-methylanilino)-2-methylpropanoic acid

C14H21NO3 — CID 115127869

IUPAC2-(5-ethyl-2-methoxy-N-methylanilino)-2-methylpropanoic acid
SMILESCCc1ccc(OC)c(N(C)C(C)(C)C(=O)O)c1
InChIInChI=1S/C14H21NO3/c1-6-10-7-8-12(18-5)11(9-10)15(4)14(2,3)13(16)17/h7-9H,6H2,1-5H3,(H,16,17)
InChIKeyCQQMXWOFHHFTEL-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.56
Rot. Bonds5

About 2-(5-ethyl-2-methoxy-N-methylanilino)-2-methylpropanoic acid

2-(5-ethyl-2-methoxy-N-methylanilino)-2-methylpropanoic acid (PubChem CID 115127869) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(5-ethyl-2-methoxy-N-methylanilino)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(5-ethyl-2-methoxy-N-methylanilino)-2-methylpropanoic acid
PubChem CID115127869
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name2-(5-ethyl-2-methoxy-N-methylanilino)-2-methylpropanoic acid
SMILESCCc1ccc(OC)c(N(C)C(C)(C)C(=O)O)c1
InChIInChI=1S/C14H21NO3/c1-6-10-7-8-12(18-5)11(9-10)15(4)14(2,3)13(16)17/h7-9H,6H2,1-5H3,(H,16,17)
InChIKeyCQQMXWOFHHFTEL-UHFFFAOYSA-N
XLogP2.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dimethoxy-N-methylanilino)-2-methylpropanoic acid
CID 115127836
2-[(5-ethyl-2-methoxyphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 115128018
3-(5-ethyl-2-methoxy-N-methylanilino)-3-methylbutan-1-ol
CID 115133960
N-(bromomethyl)-5-ethyl-2-methoxy-N-methylaniline
CID 115261714
2-(2,4-dimethoxy-N-methylanilino)-2-methylpropanoic acid
CID 115127855
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-2-methylpropanoic acid
CID 55123362
2-(3,4-dimethoxy-N-methylanilino)-2-methylpropanoic acid
CID 115127834
3-amino-4-(5-ethyl-2-methoxy-N-methylanilino)butanoic acid
CID 115241577
N'-(5-ethyl-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 115226672
2-(5-ethyl-2-methoxyphenyl)sulfanyl-2-methylpropanoic acid
CID 116852188
[1-[(5-ethyl-2-methoxy-N-methylanilino)methyl]cyclopropyl]methanol
CID 115243357
5-ethyl-2-methoxybenzoic acid
CID 20721149

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-methoxy-N-methylanilino)-2-methylpropanoic acid?
The IUPAC name of 2-(5-ethyl-2-methoxy-N-methylanilino)-2-methylpropanoic acid (CID 115127869) is 2-(5-ethyl-2-methoxy-N-methylanilino)-2-methylpropanoic acid.
What is the SMILES notation for 2-(5-ethyl-2-methoxy-N-methylanilino)-2-methylpropanoic acid?
The canonical SMILES for 2-(5-ethyl-2-methoxy-N-methylanilino)-2-methylpropanoic acid is CCc1ccc(OC)c(N(C)C(C)(C)C(=O)O)c1.
What is the InChIKey of 2-(5-ethyl-2-methoxy-N-methylanilino)-2-methylpropanoic acid?
The InChIKey is CQQMXWOFHHFTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-6-10-7-8-12(18-5)11(9-10)15(4)14(2,3)13(16)17/h7-9H,6H2,1-5H3,(H,16,17).
What are the key properties of 2-(5-ethyl-2-methoxy-N-methylanilino)-2-methylpropanoic acid?
2-(5-ethyl-2-methoxy-N-methylanilino)-2-methylpropanoic acid has a molecular weight of 251.33 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-methoxy-N-methylanilino)-2-methylpropanoic acid is sourced from PubChem (CID 115127869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).