N-ethyl-3-[[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]methyl]benzamide

C20H34N4O2 — CID 111970950

IUPACN-ethyl-3-[[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]methyl]benzamide
SMILESCCNC(=O)c1cccc(C/N=C(\NCC)NCCOCCC(C)C)c1
InChIInChI=1S/C20H34N4O2/c1-5-21-19(25)18-9-7-8-17(14-18)15-24-20(22-6-2)23-11-13-26-12-10-16(3)4/h7-9,14,16H,5-6,10-13,15H2,1-4H3,(H,21,25)(H2,22,23,24)
InChIKeyBFOGPIWOHQCUIF-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.55
Rot. Bonds11

About N-ethyl-3-[[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]methyl]benzamide

N-ethyl-3-[[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]methyl]benzamide (PubChem CID 111970950) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is N-ethyl-3-[[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]methyl]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]methyl]benzamide
PubChem CID111970950
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC NameN-ethyl-3-[[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]methyl]benzamide
SMILESCCNC(=O)c1cccc(C/N=C(\NCC)NCCOCCC(C)C)c1
InChIInChI=1S/C20H34N4O2/c1-5-21-19(25)18-9-7-8-17(14-18)15-24-20(22-6-2)23-11-13-26-12-10-16(3)4/h7-9,14,16H,5-6,10-13,15H2,1-4H3,(H,21,25)(H2,22,23,24)
InChIKeyBFOGPIWOHQCUIF-UHFFFAOYSA-N
XLogP2.55
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 N-ethyl-3-[[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]methyl]benzamide 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-(5-methylhexylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 111579607
3-[[[ethylamino-(2-methylpropylamino)methylidene]amino]methyl]-N-propylbenzamide
CID 111179415
4-[[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]methyl]-N,N-dimethylbenzamide;hydroiodide
CID 111875076
N-ethyl-3-[[[ethylamino-(propan-2-ylamino)methylidene]amino]methyl]benzamide;hydroiodide
CID 111124030
N-ethyl-3-[[[ethylamino-[3-(4-methoxyphenyl)butylamino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111641195
N-butan-2-yl-3-[[[(3-butoxypropylamino)-(ethylamino)methylidene]amino]methyl]benzamide
CID 111239699
N-[4-[[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111971323
2-[(3-chlorophenyl)methyl]-1-ethyl-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111176690
3-[[[ethylamino-(5-methylhexan-2-ylamino)methylidene]amino]methyl]-N-methylbenzamide
CID 111203248
3-bromo-N-[2-[[N'-methyl-N-[2-(3-methylbutoxy)ethyl]carbamimidoyl]amino]ethyl]benzamide
CID 111971956
3-[[[[2-(3,5-dimethylphenyl)ethylamino]-(ethylamino)methylidene]amino]methyl]-N-ethylbenzamide;hydroiodide
CID 111649135
3-[[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]methyl]-N-ethylbenzamide;hydroiodide
CID 111397559

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]methyl]benzamide?
The IUPAC name of N-ethyl-3-[[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]methyl]benzamide (CID 111970950) is N-ethyl-3-[[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]methyl]benzamide.
What is the SMILES notation for N-ethyl-3-[[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]methyl]benzamide?
The canonical SMILES for N-ethyl-3-[[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]methyl]benzamide is CCNC(=O)c1cccc(C/N=C(\NCC)NCCOCCC(C)C)c1.
What is the InChIKey of N-ethyl-3-[[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]methyl]benzamide?
The InChIKey is BFOGPIWOHQCUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-5-21-19(25)18-9-7-8-17(14-18)15-24-20(22-6-2)23-11-13-26-12-10-16(3)4/h7-9,14,16H,5-6,10-13,15H2,1-4H3,(H,21,25)(H2,22,23,24).
What are the key properties of N-ethyl-3-[[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]methyl]benzamide?
N-ethyl-3-[[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]methyl]benzamide has a molecular weight of 362.52 g/mol, XLogP of 2.55, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[[[ethylamino-[2-(3-methylbutoxy)ethylamino]methylidene]amino]methyl]benzamide is sourced from PubChem (CID 111970950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).