2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetic acid

C22H23NO4 — CID 22022374

IUPAC2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetic acid
SMILESCOc1ccc(N(CCCOc2ccc3ccccc3c2)CC(=O)O)cc1
InChIInChI=1S/C22H23NO4/c1-26-20-11-8-19(9-12-20)23(16-22(24)25)13-4-14-27-21-10-7-17-5-2-3-6-18(17)15-21/h2-3,5-12,15H,4,13-14,16H2,1H3,(H,24,25)
InChIKeyWDJVOGCJGRTLDG-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.21
Rot. Bonds9

About 2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetic acid

2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetic acid (PubChem CID 22022374) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is 2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetic acid
PubChem CID22022374
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Name2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetic acid
SMILESCOc1ccc(N(CCCOc2ccc3ccccc3c2)CC(=O)O)cc1
InChIInChI=1S/C22H23NO4/c1-26-20-11-8-19(9-12-20)23(16-22(24)25)13-4-14-27-21-10-7-17-5-2-3-6-18(17)15-21/h2-3,5-12,15H,4,13-14,16H2,1H3,(H,24,25)
InChIKeyWDJVOGCJGRTLDG-UHFFFAOYSA-N
XLogP4.21
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetic acid?
The IUPAC name of 2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetic acid (CID 22022374) is 2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetic acid.
What is the SMILES notation for 2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetic acid?
The canonical SMILES for 2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetic acid is COc1ccc(N(CCCOc2ccc3ccccc3c2)CC(=O)O)cc1.
What is the InChIKey of 2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetic acid?
The InChIKey is WDJVOGCJGRTLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO4/c1-26-20-11-8-19(9-12-20)23(16-22(24)25)13-4-14-27-21-10-7-17-5-2-3-6-18(17)15-21/h2-3,5-12,15H,4,13-14,16H2,1H3,(H,24,25).
What are the key properties of 2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetic acid?
2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetic acid has a molecular weight of 365.43 g/mol, XLogP of 4.21, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-N-(3-naphthalen-2-yloxypropyl)anilino]acetic acid is sourced from PubChem (CID 22022374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).