2-[2-[(E)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

C21H19N3O4 — CID 44725851

IUPAC2-[2-[(E)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1/C=N/NC(=O)CNc1cccc2ccccc12
InChIInChI=1S/C21H19N3O4/c25-20(13-22-18-10-5-8-15-6-1-3-9-17(15)18)24-23-12-16-7-2-4-11-19(16)28-14-21(26)27/h1-12,22H,13-14H2,(H,24,25)(H,26,27)/b23-12+
InChIKeyFRLZWDYCTUQVDY-FSJBWODESA-N
MW377.40 g/mol
LogP2.87
Rot. Bonds8

About 2-[2-[(E)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid

2-[2-[(E)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 44725851) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is 2-[2-[(E)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(E)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID44725851
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC Name2-[2-[(E)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESO=C(O)COc1ccccc1/C=N/NC(=O)CNc1cccc2ccccc12
InChIInChI=1S/C21H19N3O4/c25-20(13-22-18-10-5-8-15-6-1-3-9-17(15)18)24-23-12-16-7-2-4-11-19(16)28-14-21(26)27/h1-12,22H,13-14H2,(H,24,25)(H,26,27)/b23-12+
InChIKeyFRLZWDYCTUQVDY-FSJBWODESA-N
XLogP2.87
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.87
H-Bond Donors ≤ 53
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

N-[(2,3-dimethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 4661365
2-[2-[(E)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 5344196
2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1104421
2-naphthalen-1-yloxy-N-[(2-prop-2-enoxyphenyl)methylideneamino]acetamide
CID 5146586
2-[2-[[[2-(2,3-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1104419
2-[2-[[[2-(2-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1244956
N-[(E)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 135420036
N-[(3,4-diethoxyphenyl)methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 1350700
2-[2-[[[2-(4-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 805205
N-naphthalen-1-yl-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]oxamide
CID 51060568
[2,4-dibromo-6-[[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenyl] benzoate
CID 4658120
2-[2-[(E)-[[2-(3,5-dimethylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 6910990

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[(E)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid (CID 44725851) is 2-[2-[(E)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[(E)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[(E)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is O=C(O)COc1ccccc1/C=N/NC(=O)CNc1cccc2ccccc12.
What is the InChIKey of 2-[2-[(E)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is FRLZWDYCTUQVDY-FSJBWODESA-N. The full InChI is InChI=1S/C21H19N3O4/c25-20(13-22-18-10-5-8-15-6-1-3-9-17(15)18)24-23-12-16-7-2-4-11-19(16)28-14-21(26)27/h1-12,22H,13-14H2,(H,24,25)(H,26,27)/b23-12+.
What are the key properties of 2-[2-[(E)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid?
2-[2-[(E)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 377.40 g/mol, XLogP of 2.87, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-[[2-(naphthalen-1-ylamino)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 44725851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).