4-[(Z)-[[2-[[2-(3-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid

C19H19N3O5 — CID 6029442

IUPAC4-[(Z)-[[2-[[2-(3-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid
SMILESCc1cccc(OCC(=O)NCC(=O)N/N=C\c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C19H19N3O5/c1-13-3-2-4-16(9-13)27-12-18(24)20-11-17(23)22-21-10-14-5-7-15(8-6-14)19(25)26/h2-10H,11-12H2,1H3,(H,20,24)(H,22,23)(H,25,26)/b21-10-
InChIKeyFPUKUXZSEPOQGF-FBHDLOMBSA-N
MW369.38 g/mol
LogP1.34
Rot. Bonds8

About 4-[(Z)-[[2-[[2-(3-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid

4-[(Z)-[[2-[[2-(3-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid (PubChem CID 6029442) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is 4-[(Z)-[[2-[[2-(3-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid.

Molecular Properties

Compound Name4-[(Z)-[[2-[[2-(3-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid
PubChem CID6029442
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name4-[(Z)-[[2-[[2-(3-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid
SMILESCc1cccc(OCC(=O)NCC(=O)N/N=C\c2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C19H19N3O5/c1-13-3-2-4-16(9-13)27-12-18(24)20-11-17(23)22-21-10-14-5-7-15(8-6-14)19(25)26/h2-10H,11-12H2,1H3,(H,20,24)(H,22,23)(H,25,26)/b21-10-
InChIKeyFPUKUXZSEPOQGF-FBHDLOMBSA-N
XLogP1.34
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.34
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

4-[(E)-[[2-(3-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 19208670
N-(furan-2-ylmethylideneamino)-2-[[2-(3-methylphenoxy)acetyl]amino]acetamide
CID 2246608
N-(benzylideneamino)-2-[(2-phenoxyacetyl)amino]acetamide
CID 3520224
4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 9241516
N-[(4-ethoxyphenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 689841
N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-[(2-phenoxyacetyl)amino]acetamide
CID 6110034
N-[(E)-(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 6910962
N-[(4-cyanophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 833030
N-[(Z)-(3-methylphenyl)methylideneamino]-2-phenoxyacetamide
CID 5418273
2-(3-methylphenoxy)-N-[(4-pentoxyphenyl)methylideneamino]acetamide
CID 4038788
2-(3-methylphenoxy)-N-[(E)-(4-morpholin-4-ylphenyl)methylideneamino]acetamide
CID 6908162
methyl 2-[4-[(E)-[[2-[(3-methylbenzoyl)amino]acetyl]hydrazinylidene]methyl]phenoxy]acetate
CID 25250592

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-[[2-[[2-(3-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid?
The IUPAC name of 4-[(Z)-[[2-[[2-(3-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid (CID 6029442) is 4-[(Z)-[[2-[[2-(3-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid.
What is the SMILES notation for 4-[(Z)-[[2-[[2-(3-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid?
The canonical SMILES for 4-[(Z)-[[2-[[2-(3-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid is Cc1cccc(OCC(=O)NCC(=O)N/N=C\c2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[(Z)-[[2-[[2-(3-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid?
The InChIKey is FPUKUXZSEPOQGF-FBHDLOMBSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-13-3-2-4-16(9-13)27-12-18(24)20-11-17(23)22-21-10-14-5-7-15(8-6-14)19(25)26/h2-10H,11-12H2,1H3,(H,20,24)(H,22,23)(H,25,26)/b21-10-.
What are the key properties of 4-[(Z)-[[2-[[2-(3-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid?
4-[(Z)-[[2-[[2-(3-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid has a molecular weight of 369.38 g/mol, XLogP of 1.34, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-[[2-[[2-(3-methylphenoxy)acetyl]amino]acetyl]hydrazinylidene]methyl]benzoic acid is sourced from PubChem (CID 6029442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).