N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]-3-methylbenzamide

C17H26N4O — CID 111961383

IUPACN-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]-3-methylbenzamide
SMILESCCN/C(=N\CCNC(=O)c1cccc(C)c1)NC1CC1C
InChIInChI=1S/C17H26N4O/c1-4-18-17(21-15-11-13(15)3)20-9-8-19-16(22)14-7-5-6-12(2)10-14/h5-7,10,13,15H,4,8-9,11H2,1-3H3,(H,19,22)(H2,18,20,21)
InChIKeyGWJLSNKVHAUWKH-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.69
Rot. Bonds6

About N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]-3-methylbenzamide

N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]-3-methylbenzamide (PubChem CID 111961383) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]-3-methylbenzamide.

Molecular Properties

Compound NameN-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]-3-methylbenzamide
PubChem CID111961383
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]-3-methylbenzamide
SMILESCCN/C(=N\CCNC(=O)c1cccc(C)c1)NC1CC1C
InChIInChI=1S/C17H26N4O/c1-4-18-17(21-15-11-13(15)3)20-9-8-19-16(22)14-7-5-6-12(2)10-14/h5-7,10,13,15H,4,8-9,11H2,1-3H3,(H,19,22)(H2,18,20,21)
InChIKeyGWJLSNKVHAUWKH-UHFFFAOYSA-N
XLogP1.69
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.69
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 N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]-3-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

N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]benzamide
CID 111961317
N-[2-[bis(ethylamino)methylideneamino]ethyl]-3-methylbenzamide
CID 110917968
N-[2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide
CID 110992709
N-[2-[[[(1,1-dioxothiolan-3-yl)amino]-(ethylamino)methylidene]amino]ethyl]-3-methylbenzamide
CID 111143344
N-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]benzamide;hydroiodide
CID 110988293
N-[2-[[N'-(3-ethoxypropyl)-N-ethylcarbamimidoyl]amino]ethyl]-3-methylbenzamide
CID 111224433
N-ethyl-4-[[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111961032
N-butyl-4-[[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]methyl]benzamide;hydroiodide
CID 111962328
3-bromo-N-[3-[[(cyclopropylamino)-(ethylamino)methylidene]amino]propyl]benzamide
CID 110988762
N-[2-[[ethylamino-[methyl(oxolan-3-ylmethyl)amino]methylidene]amino]ethyl]-3-methylbenzamide
CID 109386823
N-[2-[[N'-[2-(1,3-benzodioxol-5-yl)ethyl]-N-ethylcarbamimidoyl]amino]ethyl]-3-methylbenzamide
CID 111379965
N-[2-[[N'-(3-ethoxy-4-methylpentyl)-N-ethylcarbamimidoyl]amino]ethyl]-3-methylbenzamide
CID 111718600

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]-3-methylbenzamide?
The IUPAC name of N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]-3-methylbenzamide (CID 111961383) is N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]-3-methylbenzamide.
What is the SMILES notation for N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]-3-methylbenzamide?
The canonical SMILES for N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]-3-methylbenzamide is CCN/C(=N\CCNC(=O)c1cccc(C)c1)NC1CC1C.
What is the InChIKey of N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]-3-methylbenzamide?
The InChIKey is GWJLSNKVHAUWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-4-18-17(21-15-11-13(15)3)20-9-8-19-16(22)14-7-5-6-12(2)10-14/h5-7,10,13,15H,4,8-9,11H2,1-3H3,(H,19,22)(H2,18,20,21).
What are the key properties of N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]-3-methylbenzamide?
N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]-3-methylbenzamide has a molecular weight of 302.42 g/mol, XLogP of 1.69, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-[(2-methylcyclopropyl)amino]methylidene]amino]ethyl]-3-methylbenzamide is sourced from PubChem (CID 111961383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).