2-[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenoxy]acetamide

C17H20N4O3 — CID 111801806

IUPAC2-[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenoxy]acetamide
SMILESCOc1ccc(N/C(N)=N/Cc2cccc(OCC(N)=O)c2)cc1
InChIInChI=1S/C17H20N4O3/c1-23-14-7-5-13(6-8-14)21-17(19)20-10-12-3-2-4-15(9-12)24-11-16(18)22/h2-9H,10-11H2,1H3,(H2,18,22)(H3,19,20,21)
InChIKeyQTDBYOVLBSSLTH-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.49
Rot. Bonds7

About 2-[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenoxy]acetamide

2-[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenoxy]acetamide (PubChem CID 111801806) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenoxy]acetamide
PubChem CID111801806
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenoxy]acetamide
SMILESCOc1ccc(N/C(N)=N/Cc2cccc(OCC(N)=O)c2)cc1
InChIInChI=1S/C17H20N4O3/c1-23-14-7-5-13(6-8-14)21-17(19)20-10-12-3-2-4-15(9-12)24-11-16(18)22/h2-9H,10-11H2,1H3,(H2,18,22)(H3,19,20,21)
InChIKeyQTDBYOVLBSSLTH-UHFFFAOYSA-N
XLogP1.49
TPSA111.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111061365
2-[[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 110062228
2-[3-[[[amino-(3,5-dimethylanilino)methylidene]amino]methyl]phenoxy]acetamide
CID 111801800
2-[3-[[[amino-(3-ethylanilino)methylidene]amino]methyl]phenoxy]acetamide
CID 111801752
2-[3-[[[amino-(3,4-dimethylanilino)methylidene]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111801747
2-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenoxy]acetamide
CID 111801782
2-benzyl-1-(4-methoxyphenyl)guanidine
CID 100672982
1-(4-methoxyphenyl)-2-[(3-sulfamoylphenyl)methyl]guanidine
CID 111059365
1-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methyl]guanidine
CID 56956540
2-[3-[[[ethylamino-[2-(4-methoxyphenyl)ethylamino]methylidene]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111761504
2-[3-[[[amino(butylamino)methylidene]amino]methyl]phenoxy]acetamide
CID 111801822
2-[3-[[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111801765

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenoxy]acetamide (CID 111801806) is 2-[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenoxy]acetamide is COc1ccc(N/C(N)=N/Cc2cccc(OCC(N)=O)c2)cc1.
What is the InChIKey of 2-[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenoxy]acetamide?
The InChIKey is QTDBYOVLBSSLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-14-7-5-13(6-8-14)21-17(19)20-10-12-3-2-4-15(9-12)24-11-16(18)22/h2-9H,10-11H2,1H3,(H2,18,22)(H3,19,20,21).
What are the key properties of 2-[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenoxy]acetamide?
2-[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenoxy]acetamide has a molecular weight of 328.37 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 111801806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).