3-[[[ethylamino-(2-phenylethylamino)methylidene]amino]methyl]-N-methylbenzamide

C20H26N4O — CID 111136027

IUPAC3-[[[ethylamino-(2-phenylethylamino)methylidene]amino]methyl]-N-methylbenzamide
SMILESCCN/C(=N\Cc1cccc(C(=O)NC)c1)NCCc1ccccc1
InChIInChI=1S/C20H26N4O/c1-3-22-20(23-13-12-16-8-5-4-6-9-16)24-15-17-10-7-11-18(14-17)19(25)21-2/h4-11,14H,3,12-13,15H2,1-2H3,(H,21,25)(H2,22,23,24)
InChIKeyZJVYZQGCPWKQII-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.34
Rot. Bonds7

About 3-[[[ethylamino-(2-phenylethylamino)methylidene]amino]methyl]-N-methylbenzamide

3-[[[ethylamino-(2-phenylethylamino)methylidene]amino]methyl]-N-methylbenzamide (PubChem CID 111136027) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 3-[[[ethylamino-(2-phenylethylamino)methylidene]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[[ethylamino-(2-phenylethylamino)methylidene]amino]methyl]-N-methylbenzamide
PubChem CID111136027
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name3-[[[ethylamino-(2-phenylethylamino)methylidene]amino]methyl]-N-methylbenzamide
SMILESCCN/C(=N\Cc1cccc(C(=O)NC)c1)NCCc1ccccc1
InChIInChI=1S/C20H26N4O/c1-3-22-20(23-13-12-16-8-5-4-6-9-16)24-15-17-10-7-11-18(14-17)19(25)21-2/h4-11,14H,3,12-13,15H2,1-2H3,(H,21,25)(H2,22,23,24)
InChIKeyZJVYZQGCPWKQII-UHFFFAOYSA-N
XLogP2.34
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(4-chlorophenyl)ethylamino]-(ethylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 111196174
3-[[[ethylamino-(2-phenylethylamino)methylidene]amino]methyl]-N-propylbenzamide;hydroiodide
CID 111135062
3-[[[ethylamino-[2-(4-methylsulfonylphenyl)ethylamino]methylidene]amino]methyl]-N-methylbenzamide
CID 111613131
3-[2-[[N'-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-N-ethylcarbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111631728
3-[[[ethylamino-[2-(2-fluorophenyl)ethylamino]methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111362792
3-[2-[[N-ethyl-N'-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]carbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111631744
3-[[[ethylamino-[2-(2-methoxyphenyl)ethylamino]methylidene]amino]methyl]-N-methylbenzamide
CID 111340595
3-[[[ethylamino-(hexylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 111161949
3-[2-[[N-ethyl-N'-[(2-fluorophenyl)methyl]carbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111633984
3-[2-[[N'-[(4-cyanophenyl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111634206
3-[2-[[N'-[(2-chlorophenyl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111634659
3-[[[ethylamino-(3-phenoxypropylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111418612

Frequently Asked Questions

What is the IUPAC name of 3-[[[ethylamino-(2-phenylethylamino)methylidene]amino]methyl]-N-methylbenzamide?
The IUPAC name of 3-[[[ethylamino-(2-phenylethylamino)methylidene]amino]methyl]-N-methylbenzamide (CID 111136027) is 3-[[[ethylamino-(2-phenylethylamino)methylidene]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[[ethylamino-(2-phenylethylamino)methylidene]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[[ethylamino-(2-phenylethylamino)methylidene]amino]methyl]-N-methylbenzamide is CCN/C(=N\Cc1cccc(C(=O)NC)c1)NCCc1ccccc1.
What is the InChIKey of 3-[[[ethylamino-(2-phenylethylamino)methylidene]amino]methyl]-N-methylbenzamide?
The InChIKey is ZJVYZQGCPWKQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-22-20(23-13-12-16-8-5-4-6-9-16)24-15-17-10-7-11-18(14-17)19(25)21-2/h4-11,14H,3,12-13,15H2,1-2H3,(H,21,25)(H2,22,23,24).
What are the key properties of 3-[[[ethylamino-(2-phenylethylamino)methylidene]amino]methyl]-N-methylbenzamide?
3-[[[ethylamino-(2-phenylethylamino)methylidene]amino]methyl]-N-methylbenzamide has a molecular weight of 338.46 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[ethylamino-(2-phenylethylamino)methylidene]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 111136027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).