2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide

C23H24N4O3 — CID 111599646

IUPAC2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)C/N=C(\N)Nc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C23H24N4O3/c1-29-19-12-10-17(11-13-19)15-25-22(28)16-26-23(24)27-18-6-5-9-21(14-18)30-20-7-3-2-4-8-20/h2-14H,15-16H2,1H3,(H,25,28)(H3,24,26,27)
InChIKeyQDHZKPIMWXUKDQ-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.53
Rot. Bonds8

About 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide

2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide (PubChem CID 111599646) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
PubChem CID111599646
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)C/N=C(\N)Nc2cccc(Oc3ccccc3)c2)cc1
InChIInChI=1S/C23H24N4O3/c1-29-19-12-10-17(11-13-19)15-25-22(28)16-26-23(24)27-18-6-5-9-21(14-18)30-20-7-3-2-4-8-20/h2-14H,15-16H2,1H3,(H,25,28)(H3,24,26,27)
InChIKeyQDHZKPIMWXUKDQ-UHFFFAOYSA-N
XLogP3.53
TPSA97.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.53
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-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597475
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide
CID 111599308
2-[[amino-(3,5-dimethylanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111083886
1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111063263
N-[(4-methoxyphenyl)methyl]-2-(3-phenoxyphenoxy)acetamide
CID 2681736
methyl N-[4-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]carbamate
CID 111599050
2-[[amino-(4-methoxyanilino)methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093852
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-pyridin-3-ylacetamide;hydroiodide
CID 111599985
2-ethyl-1-(3-phenoxyphenyl)guanidine
CID 55068736
1-(4-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine
CID 111063266
2-[[4-(2-methoxyphenoxy)phenyl]methyl]-1-(3-methoxyphenyl)guanidine
CID 111808572
N-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]acetamide
CID 111598250

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide (CID 111599646) is 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)C/N=C(\N)Nc2cccc(Oc3ccccc3)c2)cc1.
What is the InChIKey of 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide?
The InChIKey is QDHZKPIMWXUKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-29-19-12-10-17(11-13-19)15-25-22(28)16-26-23(24)27-18-6-5-9-21(14-18)30-20-7-3-2-4-8-20/h2-14H,15-16H2,1H3,(H,25,28)(H3,24,26,27).
What are the key properties of 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide?
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide has a molecular weight of 404.47 g/mol, XLogP of 3.53, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 111599646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).