2-(N-ethyl-2,5-dimethoxyanilino)butanoic acid

C14H21NO4 — CID 133150447

IUPAC2-(N-ethyl-2,5-dimethoxyanilino)butanoic acid
SMILESCCC(C(=O)O)N(CC)c1cc(OC)ccc1OC
InChIInChI=1S/C14H21NO4/c1-5-11(14(16)17)15(6-2)12-9-10(18-3)7-8-13(12)19-4/h7-9,11H,5-6H2,1-4H3,(H,16,17)
InChIKeyYLMITDSBOPATFR-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.39
Rot. Bonds7

About 2-(N-ethyl-2,5-dimethoxyanilino)butanoic acid

2-(N-ethyl-2,5-dimethoxyanilino)butanoic acid (PubChem CID 133150447) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-(N-ethyl-2,5-dimethoxyanilino)butanoic acid.

Molecular Properties

Compound Name2-(N-ethyl-2,5-dimethoxyanilino)butanoic acid
PubChem CID133150447
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-(N-ethyl-2,5-dimethoxyanilino)butanoic acid
SMILESCCC(C(=O)O)N(CC)c1cc(OC)ccc1OC
InChIInChI=1S/C14H21NO4/c1-5-11(14(16)17)15(6-2)12-9-10(18-3)7-8-13(12)19-4/h7-9,11H,5-6H2,1-4H3,(H,16,17)
InChIKeyYLMITDSBOPATFR-UHFFFAOYSA-N
XLogP2.39
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(2,4-dimethoxy-N-methylanilino)butanoic acid
CID 100521202
2-(2,5-dimethoxy-N-methylanilino)propanoic acid
CID 117041801
(2R)-2-(2,5-dimethoxy-N-methylanilino)propanoic acid
CID 125041871
(2S)-2-(2-methoxy-N,5-dimethylanilino)butanoic acid
CID 100521470
(2,5-dimethoxyphenyl)-propan-2-ylcarbamic acid
CID 57363242
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]butanoic acid
CID 65068401
2-cyano-N-(2,5-dimethoxyphenyl)-N-methylbutanamide
CID 115188196
N-bromo-N-ethyl-2,5-dimethoxyaniline
CID 21117287
N-butan-2-yl-2-(2,5-dimethoxyphenyl)-2-oxoacetamide
CID 112510921
methyl 2-(2,5-dimethoxy-N-methylanilino)acetate
CID 115232741
3-(2,5-dimethoxy-N-methylanilino)-2,2-dimethylpropanoic acid
CID 115136466
N-(2,5-dimethoxyphenyl)-N-methyl-2-sulfanylacetamide
CID 115167004

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-2,5-dimethoxyanilino)butanoic acid?
The IUPAC name of 2-(N-ethyl-2,5-dimethoxyanilino)butanoic acid (CID 133150447) is 2-(N-ethyl-2,5-dimethoxyanilino)butanoic acid.
What is the SMILES notation for 2-(N-ethyl-2,5-dimethoxyanilino)butanoic acid?
The canonical SMILES for 2-(N-ethyl-2,5-dimethoxyanilino)butanoic acid is CCC(C(=O)O)N(CC)c1cc(OC)ccc1OC.
What is the InChIKey of 2-(N-ethyl-2,5-dimethoxyanilino)butanoic acid?
The InChIKey is YLMITDSBOPATFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-5-11(14(16)17)15(6-2)12-9-10(18-3)7-8-13(12)19-4/h7-9,11H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 2-(N-ethyl-2,5-dimethoxyanilino)butanoic acid?
2-(N-ethyl-2,5-dimethoxyanilino)butanoic acid has a molecular weight of 267.32 g/mol, XLogP of 2.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-2,5-dimethoxyanilino)butanoic acid is sourced from PubChem (CID 133150447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).