2-[3-[[[amino-(3,5-dimethylanilino)methylidene]amino]methyl]phenoxy]acetamide

C18H22N4O2 — CID 111801800

IUPAC2-[3-[[[amino-(3,5-dimethylanilino)methylidene]amino]methyl]phenoxy]acetamide
SMILESCc1cc(C)cc(N/C(N)=N/Cc2cccc(OCC(N)=O)c2)c1
InChIInChI=1S/C18H22N4O2/c1-12-6-13(2)8-15(7-12)22-18(20)21-10-14-4-3-5-16(9-14)24-11-17(19)23/h3-9H,10-11H2,1-2H3,(H2,19,23)(H3,20,21,22)
InChIKeyOVZFJFHSEFMEGP-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.09
Rot. Bonds6

About 2-[3-[[[amino-(3,5-dimethylanilino)methylidene]amino]methyl]phenoxy]acetamide

2-[3-[[[amino-(3,5-dimethylanilino)methylidene]amino]methyl]phenoxy]acetamide (PubChem CID 111801800) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-[3-[[[amino-(3,5-dimethylanilino)methylidene]amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[3-[[[amino-(3,5-dimethylanilino)methylidene]amino]methyl]phenoxy]acetamide
PubChem CID111801800
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-[3-[[[amino-(3,5-dimethylanilino)methylidene]amino]methyl]phenoxy]acetamide
SMILESCc1cc(C)cc(N/C(N)=N/Cc2cccc(OCC(N)=O)c2)c1
InChIInChI=1S/C18H22N4O2/c1-12-6-13(2)8-15(7-12)22-18(20)21-10-14-4-3-5-16(9-14)24-11-17(19)23/h3-9H,10-11H2,1-2H3,(H2,19,23)(H3,20,21,22)
InChIKeyOVZFJFHSEFMEGP-UHFFFAOYSA-N
XLogP2.09
TPSA102.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.09
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-[[[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-(4-methoxyanilino)methylidene]amino]methyl]phenoxy]acetamide
CID 111801806
1-(3,5-dimethylphenyl)-2-[[3-(2-methoxyethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111061374
2-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenoxy]acetamide
CID 111801782
2-[3-[[[amino(butylamino)methylidene]amino]methyl]phenoxy]acetamide
CID 111801822
1-(3-methylphenyl)-2-[(3-propoxyphenyl)methyl]guanidine;hydroiodide
CID 111072818
2-[[3-(2,2-difluoroethoxy)phenyl]methyl]-1-(3-methylphenyl)guanidine
CID 111097943
2-[3-[[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111801765
2-[[3-(difluoromethoxy)phenyl]methyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111093267
2-[(3-ethoxyphenyl)methyl]-1-(3-ethylphenyl)guanidine;hydroiodide
CID 111049449
2-[[3-(2-methoxyethoxy)phenyl]methyl]-1-(4-methoxyphenyl)guanidine
CID 111061365

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[[amino-(3,5-dimethylanilino)methylidene]amino]methyl]phenoxy]acetamide?
The IUPAC name of 2-[3-[[[amino-(3,5-dimethylanilino)methylidene]amino]methyl]phenoxy]acetamide (CID 111801800) is 2-[3-[[[amino-(3,5-dimethylanilino)methylidene]amino]methyl]phenoxy]acetamide.
What is the SMILES notation for 2-[3-[[[amino-(3,5-dimethylanilino)methylidene]amino]methyl]phenoxy]acetamide?
The canonical SMILES for 2-[3-[[[amino-(3,5-dimethylanilino)methylidene]amino]methyl]phenoxy]acetamide is Cc1cc(C)cc(N/C(N)=N/Cc2cccc(OCC(N)=O)c2)c1.
What is the InChIKey of 2-[3-[[[amino-(3,5-dimethylanilino)methylidene]amino]methyl]phenoxy]acetamide?
The InChIKey is OVZFJFHSEFMEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-6-13(2)8-15(7-12)22-18(20)21-10-14-4-3-5-16(9-14)24-11-17(19)23/h3-9H,10-11H2,1-2H3,(H2,19,23)(H3,20,21,22).
What are the key properties of 2-[3-[[[amino-(3,5-dimethylanilino)methylidene]amino]methyl]phenoxy]acetamide?
2-[3-[[[amino-(3,5-dimethylanilino)methylidene]amino]methyl]phenoxy]acetamide has a molecular weight of 326.40 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[[amino-(3,5-dimethylanilino)methylidene]amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 111801800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).