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

C18H22N4O2 — CID 111801752

IUPAC2-[3-[[[amino-(3-ethylanilino)methylidene]amino]methyl]phenoxy]acetamide
SMILESCCc1cccc(N/C(N)=N/Cc2cccc(OCC(N)=O)c2)c1
InChIInChI=1S/C18H22N4O2/c1-2-13-5-3-7-15(9-13)22-18(20)21-11-14-6-4-8-16(10-14)24-12-17(19)23/h3-10H,2,11-12H2,1H3,(H2,19,23)(H3,20,21,22)
InChIKeyIIGINEGNEPMHHJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.04
Rot. Bonds7

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

2-[3-[[[amino-(3-ethylanilino)methylidene]amino]methyl]phenoxy]acetamide (PubChem CID 111801752) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[3-[[[amino-(3-ethylanilino)methylidene]amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[[[amino-(3-ethylanilino)methylidene]amino]methyl]phenoxy]acetamide
PubChem CID111801752
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-[3-[[[amino-(3-ethylanilino)methylidene]amino]methyl]phenoxy]acetamide
SMILESCCc1cccc(N/C(N)=N/Cc2cccc(OCC(N)=O)c2)c1
InChIInChI=1S/C18H22N4O2/c1-2-13-5-3-7-15(9-13)22-18(20)21-11-14-6-4-8-16(10-14)24-12-17(19)23/h3-10H,2,11-12H2,1H3,(H2,19,23)(H3,20,21,22)
InChIKeyIIGINEGNEPMHHJ-UHFFFAOYSA-N
XLogP2.04
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-ethoxyphenyl)methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111049449
2-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenoxy]acetamide
CID 111801782
2-[3-[[[amino-(3,5-dimethylanilino)methylidene]amino]methyl]phenoxy]acetamide
CID 111801800
2-[3-[[[amino-(3,4-dimethylanilino)methylidene]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111801747
2-[3-[[[amino-(4-methoxyanilino)methylidene]amino]methyl]phenoxy]acetamide
CID 111801806
1-(3-ethylphenyl)-2-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111048065
1-(3-ethylphenyl)-2-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111047987
2-[3-[[[amino(butylamino)methylidene]amino]methyl]phenoxy]acetamide
CID 111801822
1-(3-ethylphenyl)-2-[(3-hydroxyphenyl)methyl]guanidine;hydroiodide
CID 111045961
1-(3-methylphenyl)-2-[(3-propoxyphenyl)methyl]guanidine;hydroiodide
CID 111072818
N-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]acetamide
CID 111598250
1-(3-ethylphenyl)-2-[(3-sulfamoylphenyl)methyl]guanidine
CID 111059401

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[amino-(3-ethylanilino)methylidene]amino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[[[amino-(3-ethylanilino)methylidene]amino]methyl]phenoxy]acetamide (CID 111801752) is 2-[3-[[[amino-(3-ethylanilino)methylidene]amino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[[[amino-(3-ethylanilino)methylidene]amino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[[[amino-(3-ethylanilino)methylidene]amino]methyl]phenoxy]acetamide is CCc1cccc(N/C(N)=N/Cc2cccc(OCC(N)=O)c2)c1.
What is the InChIKey of 2-[3-[[[amino-(3-ethylanilino)methylidene]amino]methyl]phenoxy]acetamide?
The InChIKey is IIGINEGNEPMHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-2-13-5-3-7-15(9-13)22-18(20)21-11-14-6-4-8-16(10-14)24-12-17(19)23/h3-10H,2,11-12H2,1H3,(H2,19,23)(H3,20,21,22).
What are the key properties of 2-[3-[[[amino-(3-ethylanilino)methylidene]amino]methyl]phenoxy]acetamide?
2-[3-[[[amino-(3-ethylanilino)methylidene]amino]methyl]phenoxy]acetamide has a molecular weight of 326.40 g/mol, XLogP of 2.04, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[amino-(3-ethylanilino)methylidene]amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 111801752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).