2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide

C16H32N4O2 — CID 111398237

IUPAC2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide
SMILESCCNC(=O)C/N=C(\NCC)NCCCOC1CCCCC1
InChIInChI=1S/C16H32N4O2/c1-3-17-15(21)13-20-16(18-4-2)19-11-8-12-22-14-9-6-5-7-10-14/h14H,3-13H2,1-2H3,(H,17,21)(H2,18,19,20)
InChIKeyIQKODWNRCZDRAN-UHFFFAOYSA-N
MW312.46 g/mol
LogP1.42
Rot. Bonds9

About 2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide

2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide (PubChem CID 111398237) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide
PubChem CID111398237
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC Name2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide
SMILESCCNC(=O)C/N=C(\NCC)NCCCOC1CCCCC1
InChIInChI=1S/C16H32N4O2/c1-3-17-15(21)13-20-16(18-4-2)19-11-8-12-22-14-9-6-5-7-10-14/h14H,3-13H2,1-2H3,(H,17,21)(H2,18,19,20)
InChIKeyIQKODWNRCZDRAN-UHFFFAOYSA-N
XLogP1.42
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 51.42
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 2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide 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

2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111398236
N-tert-butyl-2-[[(4-cycloheptyloxybutylamino)-(ethylamino)methylidene]amino]acetamide
CID 111767793
2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111397799
2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111398169
1-(3-cyclohexyloxypropyl)-3-ethyl-2-(2-ethyl-2-hydroxybutyl)guanidine;hydroiodide
CID 111398372
1-(3-cyclopentyloxypropyl)-3-ethyl-2-(2-methylpropyl)guanidine;hydroiodide
CID 111180802
N-tert-butyl-2-[[ethylamino-[3-(oxan-4-yloxy)propylamino]methylidene]amino]acetamide
CID 111667194
2-[[(2-cycloheptyloxyethylamino)-(ethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111576026
N-benzyl-2-[[(2-cycloheptyloxyethylamino)-(ethylamino)methylidene]amino]acetamide
CID 111575519
2-(3-butoxypropyl)-1-(3-cyclopentyloxypropyl)-3-ethylguanidine
CID 111238739
1-(3-cyclohexyloxypropyl)-3-ethyl-2-[(1-hydroxycyclobutyl)methyl]guanidine;hydroiodide
CID 111839912
2-[[(2-cycloheptyloxyethylamino)-(ethylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111576020

Frequently Asked Questions

What is the IUPAC name of 2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide?
The IUPAC name of 2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide (CID 111398237) is 2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide.
What is the SMILES notation for 2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide?
The canonical SMILES for 2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide is CCNC(=O)C/N=C(\NCC)NCCCOC1CCCCC1.
What is the InChIKey of 2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide?
The InChIKey is IQKODWNRCZDRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-3-17-15(21)13-20-16(18-4-2)19-11-8-12-22-14-9-6-5-7-10-14/h14H,3-13H2,1-2H3,(H,17,21)(H2,18,19,20).
What are the key properties of 2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide?
2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide has a molecular weight of 312.46 g/mol, XLogP of 1.42, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-cyclohexyloxypropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide is sourced from PubChem (CID 111398237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).