2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]acetic acid

C20H17NO4 — CID 2229004

IUPAC2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H17NO4/c22-19(21-17-8-5-14(6-9-17)11-20(23)24)13-25-18-10-7-15-3-1-2-4-16(15)12-18/h1-10,12H,11,13H2,(H,21,22)(H,23,24)
InChIKeyXWDBKLBYPAUUSU-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.48
Rot. Bonds6

About 2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]acetic acid

2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]acetic acid (PubChem CID 2229004) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is 2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]acetic acid
PubChem CID2229004
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Name2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H17NO4/c22-19(21-17-8-5-14(6-9-17)11-20(23)24)13-25-18-10-7-15-3-1-2-4-16(15)12-18/h1-10,12H,11,13H2,(H,21,22)(H,23,24)
InChIKeyXWDBKLBYPAUUSU-UHFFFAOYSA-N
XLogP3.48
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]acetic acid (CID 2229004) is 2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1.
What is the InChIKey of 2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]acetic acid?
The InChIKey is XWDBKLBYPAUUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c22-19(21-17-8-5-14(6-9-17)11-20(23)24)13-25-18-10-7-15-3-1-2-4-16(15)12-18/h1-10,12H,11,13H2,(H,21,22)(H,23,24).
What are the key properties of 2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]acetic acid?
2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]acetic acid has a molecular weight of 335.36 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-naphthalen-2-yloxyacetyl)amino]phenyl]acetic acid is sourced from PubChem (CID 2229004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).