methyl 2-[3-(2-methoxyethoxy)anilino]butanoate

C14H21NO4 — CID 115353122

IUPACmethyl 2-[3-(2-methoxyethoxy)anilino]butanoate
SMILESCCC(Nc1cccc(OCCOC)c1)C(=O)OC
InChIInChI=1S/C14H21NO4/c1-4-13(14(16)18-3)15-11-6-5-7-12(10-11)19-9-8-17-2/h5-7,10,13,15H,4,8-9H2,1-3H3
InChIKeyARAAWDCOBRNGFB-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.08
Rot. Bonds8

About methyl 2-[3-(2-methoxyethoxy)anilino]butanoate

methyl 2-[3-(2-methoxyethoxy)anilino]butanoate (PubChem CID 115353122) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 2-[3-(2-methoxyethoxy)anilino]butanoate.

Molecular Properties

Compound Namemethyl 2-[3-(2-methoxyethoxy)anilino]butanoate
PubChem CID115353122
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 2-[3-(2-methoxyethoxy)anilino]butanoate
SMILESCCC(Nc1cccc(OCCOC)c1)C(=O)OC
InChIInChI=1S/C14H21NO4/c1-4-13(14(16)18-3)15-11-6-5-7-12(10-11)19-9-8-17-2/h5-7,10,13,15H,4,8-9H2,1-3H3
InChIKeyARAAWDCOBRNGFB-UHFFFAOYSA-N
XLogP2.08
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[3-[2-(dimethylamino)ethoxy]anilino]butanoate
CID 115352749
3-(2-methoxyethoxy)-N-pentan-3-ylaniline
CID 54864774
methyl (2R)-2-anilinobutanoate
CID 51891380
(2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride
CID 119289412
N-(1-ethoxypropan-2-yl)-3-(2-methoxyethoxy)aniline
CID 115918848
3-amino-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 54862322
methyl 2-[[6-(dimethylamino)-3-pyridinyl]amino]butanoate
CID 113292407
3-(2-methoxyethoxy)-N-phenylaniline
CID 156904975
3-(2-methoxyethoxy)-N-(4-methoxy-4-methylpentan-2-yl)aniline
CID 60935267
4-amino-3-methoxy-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 103154927
1-(1-hydroxy-3-methylpentan-2-yl)-3-[3-(2-methoxyethoxy)phenyl]urea
CID 56795144
methyl 2-(3-methoxyanilino)-3-methylpentanoate
CID 61319353

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-methoxyethoxy)anilino]butanoate?
The IUPAC name of methyl 2-[3-(2-methoxyethoxy)anilino]butanoate (CID 115353122) is methyl 2-[3-(2-methoxyethoxy)anilino]butanoate.
What is the SMILES notation for methyl 2-[3-(2-methoxyethoxy)anilino]butanoate?
The canonical SMILES for methyl 2-[3-(2-methoxyethoxy)anilino]butanoate is CCC(Nc1cccc(OCCOC)c1)C(=O)OC.
What is the InChIKey of methyl 2-[3-(2-methoxyethoxy)anilino]butanoate?
The InChIKey is ARAAWDCOBRNGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-4-13(14(16)18-3)15-11-6-5-7-12(10-11)19-9-8-17-2/h5-7,10,13,15H,4,8-9H2,1-3H3.
What are the key properties of methyl 2-[3-(2-methoxyethoxy)anilino]butanoate?
methyl 2-[3-(2-methoxyethoxy)anilino]butanoate has a molecular weight of 267.32 g/mol, XLogP of 2.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-methoxyethoxy)anilino]butanoate is sourced from PubChem (CID 115353122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).