3-[2-[[amino-(3,4-dimethoxyanilino)methylidene]amino]ethyl]-N-methylbenzamide

C19H24N4O3 — CID 111817596

IUPAC3-[2-[[amino-(3,4-dimethoxyanilino)methylidene]amino]ethyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CC/N=C(\N)Nc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C19H24N4O3/c1-21-18(24)14-6-4-5-13(11-14)9-10-22-19(20)23-15-7-8-16(25-2)17(12-15)26-3/h4-8,11-12H,9-10H2,1-3H3,(H,21,24)(H3,20,22,23)
InChIKeyTZIHNNLLWMGNSO-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.03
Rot. Bonds7

About 3-[2-[[amino-(3,4-dimethoxyanilino)methylidene]amino]ethyl]-N-methylbenzamide

3-[2-[[amino-(3,4-dimethoxyanilino)methylidene]amino]ethyl]-N-methylbenzamide (PubChem CID 111817596) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 3-[2-[[amino-(3,4-dimethoxyanilino)methylidene]amino]ethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-[[amino-(3,4-dimethoxyanilino)methylidene]amino]ethyl]-N-methylbenzamide
PubChem CID111817596
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name3-[2-[[amino-(3,4-dimethoxyanilino)methylidene]amino]ethyl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(CC/N=C(\N)Nc2ccc(OC)c(OC)c2)c1
InChIInChI=1S/C19H24N4O3/c1-21-18(24)14-6-4-5-13(11-14)9-10-22-19(20)23-15-7-8-16(25-2)17(12-15)26-3/h4-8,11-12H,9-10H2,1-3H3,(H,21,24)(H3,20,22,23)
InChIKeyTZIHNNLLWMGNSO-UHFFFAOYSA-N
XLogP2.03
TPSA97.97 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.03
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

3-[2-[[amino-(2,3-dihydro-1H-inden-5-ylamino)methylidene]amino]ethyl]-N-methylbenzamide
CID 111817606
1-(3,4-dimethoxyphenyl)-2-[2-(3-methoxyphenyl)ethyl]guanidine;hydroiodide
CID 111046945
1-(3,4-dimethoxyphenyl)-2-[2-(3-methylphenyl)ethyl]guanidine;hydroiodide
CID 111077752
3-[2-[[amino-(3-chloro-4-methoxyanilino)methylidene]amino]ethyl]-N,N-dimethylbenzamide
CID 111819592
3-[2-[[amino-[4-(trifluoromethoxy)anilino]methylidene]amino]ethyl]-N-methylbenzamide
CID 111817604
N-[4-[2-[[amino-(3,4-dimethoxyanilino)methylidene]amino]ethyl]phenyl]acetamide
CID 111086241
3-[[[amino-(3,4-dimethoxyanilino)methylidene]amino]methyl]-N-butan-2-ylbenzamide;hydroiodide
CID 111058557
3-[2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]ethyl]-N-methylbenzamide
CID 111817584
3-[[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111058808
1-(3,4-dimethoxyphenyl)-2-[2-(4-methoxyphenyl)ethyl]guanidine
CID 111024092
3-[[[amino-(3,4-dimethylanilino)methylidene]amino]methyl]-N-methylbenzamide
CID 111058801
3-[2-[[ethylamino-(3,4,5-trimethoxyanilino)methylidene]amino]ethyl]-N-methylbenzamide
CID 111772476

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[amino-(3,4-dimethoxyanilino)methylidene]amino]ethyl]-N-methylbenzamide?
The IUPAC name of 3-[2-[[amino-(3,4-dimethoxyanilino)methylidene]amino]ethyl]-N-methylbenzamide (CID 111817596) is 3-[2-[[amino-(3,4-dimethoxyanilino)methylidene]amino]ethyl]-N-methylbenzamide.
What is the SMILES notation for 3-[2-[[amino-(3,4-dimethoxyanilino)methylidene]amino]ethyl]-N-methylbenzamide?
The canonical SMILES for 3-[2-[[amino-(3,4-dimethoxyanilino)methylidene]amino]ethyl]-N-methylbenzamide is CNC(=O)c1cccc(CC/N=C(\N)Nc2ccc(OC)c(OC)c2)c1.
What is the InChIKey of 3-[2-[[amino-(3,4-dimethoxyanilino)methylidene]amino]ethyl]-N-methylbenzamide?
The InChIKey is TZIHNNLLWMGNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-21-18(24)14-6-4-5-13(11-14)9-10-22-19(20)23-15-7-8-16(25-2)17(12-15)26-3/h4-8,11-12H,9-10H2,1-3H3,(H,21,24)(H3,20,22,23).
What are the key properties of 3-[2-[[amino-(3,4-dimethoxyanilino)methylidene]amino]ethyl]-N-methylbenzamide?
3-[2-[[amino-(3,4-dimethoxyanilino)methylidene]amino]ethyl]-N-methylbenzamide has a molecular weight of 356.43 g/mol, XLogP of 2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[amino-(3,4-dimethoxyanilino)methylidene]amino]ethyl]-N-methylbenzamide is sourced from PubChem (CID 111817596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).