N-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]acetamide

C22H22N4O2 — CID 111598250

IUPACN-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C/N=C(\N)Nc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C22H22N4O2/c1-16(27)25-18-8-5-7-17(13-18)15-24-22(23)26-19-9-6-12-21(14-19)28-20-10-3-2-4-11-20/h2-14H,15H2,1H3,(H,25,27)(H3,23,24,26)
InChIKeyCONYLZFHQCZGSV-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.36
Rot. Bonds6

About N-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]acetamide

N-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]acetamide (PubChem CID 111598250) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]acetamide
PubChem CID111598250
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C/N=C(\N)Nc2cccc(Oc3ccccc3)c2)c1
InChIInChI=1S/C22H22N4O2/c1-16(27)25-18-8-5-7-17(13-18)15-24-22(23)26-19-9-6-12-21(14-19)28-20-10-3-2-4-11-20/h2-14H,15H2,1H3,(H,25,27)(H3,23,24,26)
InChIKeyCONYLZFHQCZGSV-UHFFFAOYSA-N
XLogP4.36
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.36
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-phenoxyanilino)methylidene]amino]methyl]phenoxy]acetamide
CID 111801782
methyl N-[4-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]carbamate
CID 111599050
2-[(4-methoxyphenyl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597475
2-[[amino-(3-phenoxyanilino)methylidene]amino]-N-phenylacetamide
CID 111599308
1-(3-phenoxyphenyl)-2-(pyridin-3-ylmethyl)guanidine;hydroiodide
CID 111597443
1-(3-methoxyphenyl)-2-[(4-phenoxyphenyl)methyl]guanidine;hydroiodide
CID 111063263
2-ethyl-1-(3-phenoxyphenyl)guanidine
CID 55068736
2-[[4-[(dimethylamino)methyl]phenyl]methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111597801
2-[(1-methylpyrrol-3-yl)methyl]-1-(3-phenoxyphenyl)guanidine
CID 111721761
1-(3-phenoxyphenyl)-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111598509
1-[4-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]-3-propan-2-ylurea;hydroiodide
CID 111599087
2-[(1-methylpyrrol-3-yl)methyl]-1-(3-phenoxyphenyl)guanidine;hydroiodide
CID 111721760

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]acetamide (CID 111598250) is N-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]acetamide is CC(=O)Nc1cccc(C/N=C(\N)Nc2cccc(Oc3ccccc3)c2)c1.
What is the InChIKey of N-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]acetamide?
The InChIKey is CONYLZFHQCZGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-16(27)25-18-8-5-7-17(13-18)15-24-22(23)26-19-9-6-12-21(14-19)28-20-10-3-2-4-11-20/h2-14H,15H2,1H3,(H,25,27)(H3,23,24,26).
What are the key properties of N-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]acetamide?
N-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]acetamide has a molecular weight of 374.44 g/mol, XLogP of 4.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[amino-(3-phenoxyanilino)methylidene]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 111598250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).