2-[4-[(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenoxy]acetic acid

C22H20N2O5 — CID 3364097

IUPAC2-[4-[(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenoxy]acetic acid
SMILESCC(Oc1cccc2ccccc12)C(=O)NN=Cc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C22H20N2O5/c1-15(29-20-8-4-6-17-5-2-3-7-19(17)20)22(27)24-23-13-16-9-11-18(12-10-16)28-14-21(25)26/h2-13,15H,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyZDHULBVEEYFWQO-UHFFFAOYSA-N
MW392.41 g/mol
LogP3.22
Rot. Bonds8

About 2-[4-[(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenoxy]acetic acid

2-[4-[(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenoxy]acetic acid (PubChem CID 3364097) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is 2-[4-[(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenoxy]acetic acid
PubChem CID3364097
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name2-[4-[(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenoxy]acetic acid
SMILESCC(Oc1cccc2ccccc12)C(=O)NN=Cc1ccc(OCC(=O)O)cc1
InChIInChI=1S/C22H20N2O5/c1-15(29-20-8-4-6-17-5-2-3-7-19(17)20)22(27)24-23-13-16-9-11-18(12-10-16)28-14-21(25)26/h2-13,15H,14H2,1H3,(H,24,27)(H,25,26)
InChIKeyZDHULBVEEYFWQO-UHFFFAOYSA-N
XLogP3.22
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-[(Z)-naphthalen-2-ylmethylideneamino]-2-naphthalen-1-yloxypropanamide
CID 7039270
N-[(5-methylfuran-2-yl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 2852741
2-[4-[(Z)-[[(2R)-2-naphthalen-2-yloxypropanoyl]hydrazinylidene]methyl]phenoxy]acetate
CID 7167427
(2S)-2-naphthalen-1-yloxy-N-[(Z)-pyridin-3-ylmethylideneamino]propanamide
CID 5393557
N-[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 5335057
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-naphthalen-1-yloxypropanamide
CID 56694783
N-[(4-hydroxyphenyl)methylideneamino]-2-(4-phenylmethoxyphenoxy)propanamide
CID 4674531
(2R)-N-[[4-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxypropanamide
CID 7275620
2-naphthalen-1-yloxy-N-[[4-[[(2-naphthalen-1-yloxyacetyl)hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 3274359
N-[(4-methylphenyl)methylideneamino]-2-naphthalen-2-yloxypropanamide
CID 4939949
2-[4-[[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 3290188
(2S)-2-(4-chlorophenoxy)-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]propanamide
CID 6896991

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenoxy]acetic acid (CID 3364097) is 2-[4-[(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenoxy]acetic acid is CC(Oc1cccc2ccccc12)C(=O)NN=Cc1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenoxy]acetic acid?
The InChIKey is ZDHULBVEEYFWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-15(29-20-8-4-6-17-5-2-3-7-19(17)20)22(27)24-23-13-16-9-11-18(12-10-16)28-14-21(25)26/h2-13,15H,14H2,1H3,(H,24,27)(H,25,26).
What are the key properties of 2-[4-[(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenoxy]acetic acid?
2-[4-[(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenoxy]acetic acid has a molecular weight of 392.41 g/mol, XLogP of 3.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-naphthalen-1-yloxypropanoylhydrazinylidene)methyl]phenoxy]acetic acid is sourced from PubChem (CID 3364097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).