3-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]-N-methylbenzamide

C19H32N4O — CID 111579607

IUPAC3-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]-N-methylbenzamide
SMILESCCN/C(=N\Cc1cccc(C(=O)NC)c1)NCCCCC(C)C
InChIInChI=1S/C19H32N4O/c1-5-21-19(22-12-7-6-9-15(2)3)23-14-16-10-8-11-17(13-16)18(24)20-4/h8,10-11,13,15H,5-7,9,12,14H2,1-4H3,(H,20,24)(H2,21,22,23)
InChIKeyOSDIKJGPXRIXGB-UHFFFAOYSA-N
MW332.49 g/mol
LogP2.93
Rot. Bonds9

About 3-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]-N-methylbenzamide

3-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]-N-methylbenzamide (PubChem CID 111579607) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is 3-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]-N-methylbenzamide
PubChem CID111579607
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name3-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]-N-methylbenzamide
SMILESCCN/C(=N\Cc1cccc(C(=O)NC)c1)NCCCCC(C)C
InChIInChI=1S/C19H32N4O/c1-5-21-19(22-12-7-6-9-15(2)3)23-14-16-10-8-11-17(13-16)18(24)20-4/h8,10-11,13,15H,5-7,9,12,14H2,1-4H3,(H,20,24)(H2,21,22,23)
InChIKeyOSDIKJGPXRIXGB-UHFFFAOYSA-N
XLogP2.93
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]-N-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[[ethylamino-(hexylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 111161949
3-[[[ethylamino-(5-methylhexan-2-ylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 111203248
3-[[[ethylamino-(2-phenylethylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 111136027
3-[[[ethylamino-[3-(1-phenylethoxy)propylamino]methylidene]amino]methyl]-N-methylbenzamide
CID 111403709
3-[[[(3-ethoxypropylamino)-(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111222028
3-[2-[[N'-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-N-ethylcarbamimidoyl]amino]ethyl]-N-methylbenzamide
CID 111631728
3-[[[ethylamino-(3-phenoxypropylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111418612
3-[[[(butan-2-ylamino)-(ethylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 110943750
N-ethyl-3-[[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]methyl]benzamide
CID 111970950
3-[[[(butan-2-ylamino)-(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 110943749
3-[[[[3-(azepan-1-yl)propylamino]-(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 111324457
3-[[[(tert-butylamino)-(ethylamino)methylidene]amino]methyl]-N-methylbenzamide;hydroiodide
CID 110964922

Frequently Asked Questions

What is the IUPAC name of 3-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]-N-methylbenzamide?
The IUPAC name of 3-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]-N-methylbenzamide (CID 111579607) is 3-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 3-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]-N-methylbenzamide?
The canonical SMILES for 3-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]-N-methylbenzamide is CCN/C(=N\Cc1cccc(C(=O)NC)c1)NCCCCC(C)C.
What is the InChIKey of 3-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]-N-methylbenzamide?
The InChIKey is OSDIKJGPXRIXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O/c1-5-21-19(22-12-7-6-9-15(2)3)23-14-16-10-8-11-17(13-16)18(24)20-4/h8,10-11,13,15H,5-7,9,12,14H2,1-4H3,(H,20,24)(H2,21,22,23).
What are the key properties of 3-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]-N-methylbenzamide?
3-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]-N-methylbenzamide has a molecular weight of 332.49 g/mol, XLogP of 2.93, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[ethylamino-(5-methylhexylamino)methylidene]amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 111579607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).