2-[2-[[[4-(diethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid

C20H23N3O4 — CID 2331809

IUPAC2-[2-[[[4-(diethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESCCN(CC)c1ccc(C(=O)NN=Cc2ccccc2OCC(=O)O)cc1
InChIInChI=1S/C20H23N3O4/c1-3-23(4-2)17-11-9-15(10-12-17)20(26)22-21-13-16-7-5-6-8-18(16)27-14-19(24)25/h5-13H,3-4,14H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyXXDQRJRSCBPLTG-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.76
Rot. Bonds9

About 2-[2-[[[4-(diethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid

2-[2-[[[4-(diethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid (PubChem CID 2331809) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[2-[[[4-(diethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[[4-(diethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
PubChem CID2331809
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name2-[2-[[[4-(diethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid
SMILESCCN(CC)c1ccc(C(=O)NN=Cc2ccccc2OCC(=O)O)cc1
InChIInChI=1S/C20H23N3O4/c1-3-23(4-2)17-11-9-15(10-12-17)20(26)22-21-13-16-7-5-6-8-18(16)27-14-19(24)25/h5-13H,3-4,14H2,1-2H3,(H,22,26)(H,24,25)
InChIKeyXXDQRJRSCBPLTG-UHFFFAOYSA-N
XLogP2.76
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.76
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

2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 684020
2-[2-[(Z)-[(4-propan-2-yloxybenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 9215631
4-(diethylamino)-N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135576771
2-[2-[[[2-[(2-chlorobenzoyl)amino]-3-[4-(diethylamino)phenyl]prop-2-enoyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 5003269
2-[2-[(Z)-[(3-bromobenzoyl)hydrazinylidene]methyl]phenoxy]acetic acid
CID 41168478
N-[(2-ethoxyphenyl)methylideneamino]-4-phenylbenzamide
CID 2163591
N-[(2-pentoxyphenyl)methylideneamino]benzamide
CID 5219776
4-methyl-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 5131862
4-hydroxy-N-[(2-propoxyphenyl)methylideneamino]benzamide
CID 4300474
N-[(E)-[4-[benzyl(ethyl)amino]phenyl]methylideneamino]-4-(diethylamino)benzamide
CID 6900909
N-[(E)-(2-butoxyphenyl)methylideneamino]-4-hydroxybenzamide
CID 110338477
2-[2-[[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenoxy]acetate
CID 2306178

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[[4-(diethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The IUPAC name of 2-[2-[[[4-(diethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid (CID 2331809) is 2-[2-[[[4-(diethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[2-[[[4-(diethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The canonical SMILES for 2-[2-[[[4-(diethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid is CCN(CC)c1ccc(C(=O)NN=Cc2ccccc2OCC(=O)O)cc1.
What is the InChIKey of 2-[2-[[[4-(diethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid?
The InChIKey is XXDQRJRSCBPLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-3-23(4-2)17-11-9-15(10-12-17)20(26)22-21-13-16-7-5-6-8-18(16)27-14-19(24)25/h5-13H,3-4,14H2,1-2H3,(H,22,26)(H,24,25).
What are the key properties of 2-[2-[[[4-(diethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid?
2-[2-[[[4-(diethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid has a molecular weight of 369.42 g/mol, XLogP of 2.76, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[[4-(diethylamino)benzoyl]hydrazinylidene]methyl]phenoxy]acetic acid is sourced from PubChem (CID 2331809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).