2-(4-ethylphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid

C18H21NO3 — CID 84747421

IUPAC2-(4-ethylphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid
SMILESCCc1ccc(C(NCc2ccccc2OC)C(=O)O)cc1
InChIInChI=1S/C18H21NO3/c1-3-13-8-10-14(11-9-13)17(18(20)21)19-12-15-6-4-5-7-16(15)22-2/h4-11,17,19H,3,12H2,1-2H3,(H,20,21)
InChIKeyHLGNOAUMASDXID-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.17
Rot. Bonds7

About 2-(4-ethylphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid

2-(4-ethylphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid (PubChem CID 84747421) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(4-ethylphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-(4-ethylphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid
PubChem CID84747421
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-(4-ethylphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid
SMILESCCc1ccc(C(NCc2ccccc2OC)C(=O)O)cc1
InChIInChI=1S/C18H21NO3/c1-3-13-8-10-14(11-9-13)17(18(20)21)19-12-15-6-4-5-7-16(15)22-2/h4-11,17,19H,3,12H2,1-2H3,(H,20,21)
InChIKeyHLGNOAUMASDXID-UHFFFAOYSA-N
XLogP3.17
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(2-methoxyphenyl)methylamino]-2-phenylacetate
CID 91380200
2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid
CID 62392789
2-(3,5-ditert-butyl-4-hydroxyphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid
CID 19363172
2-(4-ethylphenyl)-2-[(4-fluorophenyl)methylamino]acetic acid
CID 84747391
N'-[1-(4-ethylphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 108511080
(2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid
CID 10612160
1-(4-ethylphenyl)-2-(2-methoxyphenyl)ethanol
CID 61088305
(2S)-2-[(2-methoxyphenyl)methylamino]-5,5-dimethylhexanoic acid
CID 167496485
N-[(2-methoxyphenyl)methyl]-1-(4-propylphenyl)ethanamine
CID 43191544
2-diphenylphosphanyl-2-[(2-methoxyphenyl)methylamino]acetic acid
CID 132557514
3-[[carboxy-(4-ethylphenyl)methyl]amino]propanoic acid
CID 84747535
2-(benzylamino)-2-(2-ethylphenyl)acetic acid
CID 62416657

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid?
The IUPAC name of 2-(4-ethylphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid (CID 84747421) is 2-(4-ethylphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid.
What is the SMILES notation for 2-(4-ethylphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid?
The canonical SMILES for 2-(4-ethylphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid is CCc1ccc(C(NCc2ccccc2OC)C(=O)O)cc1.
What is the InChIKey of 2-(4-ethylphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid?
The InChIKey is HLGNOAUMASDXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-13-8-10-14(11-9-13)17(18(20)21)19-12-15-6-4-5-7-16(15)22-2/h4-11,17,19H,3,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-ethylphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid?
2-(4-ethylphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid has a molecular weight of 299.37 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylphenyl)-2-[(2-methoxyphenyl)methylamino]acetic acid is sourced from PubChem (CID 84747421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).