N-cyclohexyl-2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]acetamide

C18H30N4O2S — CID 111654054

IUPACN-cyclohexyl-2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CCCCC1)NCC(C)(O)c1ccsc1
InChIInChI=1S/C18H30N4O2S/c1-3-19-17(21-13-18(2,24)14-9-10-25-12-14)20-11-16(23)22-15-7-5-4-6-8-15/h9-10,12,15,24H,3-8,11,13H2,1-2H3,(H,22,23)(H2,19,20,21)
InChIKeyNZQYTLFXTKGQHH-UHFFFAOYSA-N
MW366.53 g/mol
LogP1.96
Rot. Bonds7

About N-cyclohexyl-2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]acetamide

N-cyclohexyl-2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]acetamide (PubChem CID 111654054) has the molecular formula C18H30N4O2S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-cyclohexyl-2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]acetamide
PubChem CID111654054
Molecular FormulaC18H30N4O2S
Molecular Weight366.53 g/mol
Exact Mass366.21
IUPAC NameN-cyclohexyl-2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CCCCC1)NCC(C)(O)c1ccsc1
InChIInChI=1S/C18H30N4O2S/c1-3-19-17(21-13-18(2,24)14-9-10-25-12-14)20-11-16(23)22-15-7-5-4-6-8-15/h9-10,12,15,24H,3-8,11,13H2,1-2H3,(H,22,23)(H2,19,20,21)
InChIKeyNZQYTLFXTKGQHH-UHFFFAOYSA-N
XLogP1.96
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

N-cyclohexyl-2-[[ethylamino-[(2-hydroxy-2-phenylpropyl)amino]methylidene]amino]acetamide;hydroiodide
CID 109418197
N-cyclohexyl-2-[[ethylamino-[(2-hydroxy-2-thiophen-2-ylpropyl)amino]methylidene]amino]acetamide
CID 109420200
N'-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)butanediamide
CID 109477004
1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(2-oxo-2-piperidin-1-ylethyl)guanidine;hydroiodide
CID 111654285
2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111654615
N-cyclohexyl-2-[[ethylamino-[(2-methoxy-2-methylpropyl)amino]methylidene]amino]acetamide
CID 111605945
N-cyclohexyl-2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]acetamide
CID 111868426
1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)-2-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111654224
N-cyclohexyl-2-[[ethylamino-[(2-methyl-2-piperidin-1-ylpropyl)amino]methylidene]amino]acetamide;hydroiodide
CID 111321279
2-[[(tert-butylamino)-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 110965625
3-cyclopentyl-N-(2-hydroxy-2-thiophen-3-ylpropyl)propanamide
CID 111452313
2-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-1-ethyl-3-(2-hydroxy-2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111653869

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]acetamide?
The IUPAC name of N-cyclohexyl-2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]acetamide (CID 111654054) is N-cyclohexyl-2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC1CCCCC1)NCC(C)(O)c1ccsc1.
What is the InChIKey of N-cyclohexyl-2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]acetamide?
The InChIKey is NZQYTLFXTKGQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O2S/c1-3-19-17(21-13-18(2,24)14-9-10-25-12-14)20-11-16(23)22-15-7-5-4-6-8-15/h9-10,12,15,24H,3-8,11,13H2,1-2H3,(H,22,23)(H2,19,20,21).
What are the key properties of N-cyclohexyl-2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]acetamide?
N-cyclohexyl-2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]acetamide has a molecular weight of 366.53 g/mol, XLogP of 1.96, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[ethylamino-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]methylidene]amino]acetamide is sourced from PubChem (CID 111654054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).