2-(2-methoxyethylamino)-4-(4-methoxyphenyl)-2-methylbutanoic acid

C15H23NO4 — CID 61340673

IUPAC2-(2-methoxyethylamino)-4-(4-methoxyphenyl)-2-methylbutanoic acid
SMILESCOCCNC(C)(CCc1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C15H23NO4/c1-15(14(17)18,16-10-11-19-2)9-8-12-4-6-13(20-3)7-5-12/h4-7,16H,8-11H2,1-3H3,(H,17,18)
InChIKeyBNKMKPUYZINLSU-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.71
Rot. Bonds9

About 2-(2-methoxyethylamino)-4-(4-methoxyphenyl)-2-methylbutanoic acid

2-(2-methoxyethylamino)-4-(4-methoxyphenyl)-2-methylbutanoic acid (PubChem CID 61340673) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-(2-methoxyethylamino)-4-(4-methoxyphenyl)-2-methylbutanoic acid.

Molecular Properties

Compound Name2-(2-methoxyethylamino)-4-(4-methoxyphenyl)-2-methylbutanoic acid
PubChem CID61340673
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-(2-methoxyethylamino)-4-(4-methoxyphenyl)-2-methylbutanoic acid
SMILESCOCCNC(C)(CCc1ccc(OC)cc1)C(=O)O
InChIInChI=1S/C15H23NO4/c1-15(14(17)18,16-10-11-19-2)9-8-12-4-6-13(20-3)7-5-12/h4-7,16H,8-11H2,1-3H3,(H,17,18)
InChIKeyBNKMKPUYZINLSU-UHFFFAOYSA-N
XLogP1.71
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-4-(4-methoxyphenyl)-2-methylbutanamide
CID 62541160
4-(4-hydroxyphenyl)-2-(2-methoxyethylamino)-2-methylbutanoic acid
CID 55084268
2-[2-(4-methoxyphenyl)ethylamino]-2-methylpentanoic acid
CID 43619666
2-(butan-2-ylamino)-4-(4-methoxyphenyl)-2-methylbutanoic acid
CID 61024807
(2S)-2-amino-4-(4-methoxyphenyl)-2-methylbutanoic acid
CID 93380969
2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid
CID 43619594
2-(2-hydroxyethylamino)-2-methyl-4-phenylbutanoic acid
CID 114990394
2-[2-(4-methoxyphenyl)ethyl]-2-(2-phenylethyl)propanedioic acid
CID 122530743
N-(2-methoxyethyl)-2-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 43087093
2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid
CID 69301984
2-[[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]-2-methylpropanoic acid
CID 65264125
7-(4-methoxyphenyl)-2,2-dimethylheptanoic acid
CID 139937428

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylamino)-4-(4-methoxyphenyl)-2-methylbutanoic acid?
The IUPAC name of 2-(2-methoxyethylamino)-4-(4-methoxyphenyl)-2-methylbutanoic acid (CID 61340673) is 2-(2-methoxyethylamino)-4-(4-methoxyphenyl)-2-methylbutanoic acid.
What is the SMILES notation for 2-(2-methoxyethylamino)-4-(4-methoxyphenyl)-2-methylbutanoic acid?
The canonical SMILES for 2-(2-methoxyethylamino)-4-(4-methoxyphenyl)-2-methylbutanoic acid is COCCNC(C)(CCc1ccc(OC)cc1)C(=O)O.
What is the InChIKey of 2-(2-methoxyethylamino)-4-(4-methoxyphenyl)-2-methylbutanoic acid?
The InChIKey is BNKMKPUYZINLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-15(14(17)18,16-10-11-19-2)9-8-12-4-6-13(20-3)7-5-12/h4-7,16H,8-11H2,1-3H3,(H,17,18).
What are the key properties of 2-(2-methoxyethylamino)-4-(4-methoxyphenyl)-2-methylbutanoic acid?
2-(2-methoxyethylamino)-4-(4-methoxyphenyl)-2-methylbutanoic acid has a molecular weight of 281.35 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylamino)-4-(4-methoxyphenyl)-2-methylbutanoic acid is sourced from PubChem (CID 61340673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).