2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid

C18H21NO3 — CID 82344798

IUPAC2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid
SMILESCCOc1ccc(C(NCc2ccc(C)cc2)C(=O)O)cc1
InChIInChI=1S/C18H21NO3/c1-3-22-16-10-8-15(9-11-16)17(18(20)21)19-12-14-6-4-13(2)5-7-14/h4-11,17,19H,3,12H2,1-2H3,(H,20,21)
InChIKeyPCSDFEMULOJSAT-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.31
Rot. Bonds7

About 2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid

2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid (PubChem CID 82344798) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid
PubChem CID82344798
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Name2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid
SMILESCCOc1ccc(C(NCc2ccc(C)cc2)C(=O)O)cc1
InChIInChI=1S/C18H21NO3/c1-3-22-16-10-8-15(9-11-16)17(18(20)21)19-12-14-6-4-13(2)5-7-14/h4-11,17,19H,3,12H2,1-2H3,(H,20,21)
InChIKeyPCSDFEMULOJSAT-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-methylphenyl)methylamino]-2-phenylacetic acid
CID 55036353
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetic acid
CID 10587129
2-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)acetic acid
CID 82344800
2-[(4-ethoxyphenyl)methylamino]propanoic acid
CID 43466880
2-(4-ethoxyphenyl)-2-(4-methylphenyl)acetic acid
CID 82023855
2-(4-ethoxyphenyl)-2-(2-hydroxypropylamino)acetic acid
CID 82344792
(2R)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid
CID 120510362
(2S)-2-[[4-(2-methylpropoxy)phenyl]methylamino]-2-phenylacetic acid
CID 120511819
2-(4-ethoxyphenyl)-2-(pentylamino)acetic acid
CID 82344794
(2R)-2-(benzylamino)-2-(4-methoxyphenyl)acetic acid
CID 10612160
2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid
CID 60993501
(2R)-2-(benzylamino)-2-(4-methylphenyl)acetamide
CID 10824853

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid?
The IUPAC name of 2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid (CID 82344798) is 2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid.
What is the SMILES notation for 2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid?
The canonical SMILES for 2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid is CCOc1ccc(C(NCc2ccc(C)cc2)C(=O)O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid?
The InChIKey is PCSDFEMULOJSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-3-22-16-10-8-15(9-11-16)17(18(20)21)19-12-14-6-4-13(2)5-7-14/h4-11,17,19H,3,12H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid?
2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid has a molecular weight of 299.37 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid is sourced from PubChem (CID 82344798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).