N-cyclohexyl-2-[[ethylamino-[3-(oxolan-2-ylmethoxy)propylamino]methylidene]amino]acetamide

C19H36N4O3 — CID 111408961

IUPACN-cyclohexyl-2-[[ethylamino-[3-(oxolan-2-ylmethoxy)propylamino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CCCCC1)NCCCOCC1CCCO1
InChIInChI=1S/C19H36N4O3/c1-2-20-19(21-11-7-12-25-15-17-10-6-13-26-17)22-14-18(24)23-16-8-4-3-5-9-16/h16-17H,2-15H2,1H3,(H,23,24)(H2,20,21,22)
InChIKeyOEGQMOMKACYQBJ-UHFFFAOYSA-N
MW368.52 g/mol
LogP1.58
Rot. Bonds10

About N-cyclohexyl-2-[[ethylamino-[3-(oxolan-2-ylmethoxy)propylamino]methylidene]amino]acetamide

N-cyclohexyl-2-[[ethylamino-[3-(oxolan-2-ylmethoxy)propylamino]methylidene]amino]acetamide (PubChem CID 111408961) has the molecular formula C19H36N4O3 and a molecular weight of 368.52 g/mol. Its IUPAC name is N-cyclohexyl-2-[[ethylamino-[3-(oxolan-2-ylmethoxy)propylamino]methylidene]amino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[ethylamino-[3-(oxolan-2-ylmethoxy)propylamino]methylidene]amino]acetamide
PubChem CID111408961
Molecular FormulaC19H36N4O3
Molecular Weight368.52 g/mol
Exact Mass368.28
IUPAC NameN-cyclohexyl-2-[[ethylamino-[3-(oxolan-2-ylmethoxy)propylamino]methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CCCCC1)NCCCOCC1CCCO1
InChIInChI=1S/C19H36N4O3/c1-2-20-19(21-11-7-12-25-15-17-10-6-13-26-17)22-14-18(24)23-16-8-4-3-5-9-16/h16-17H,2-15H2,1H3,(H,23,24)(H2,20,21,22)
InChIKeyOEGQMOMKACYQBJ-UHFFFAOYSA-N
XLogP1.58
TPSA83.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

1-cyclopentyl-3-ethyl-2-[2-(oxolan-2-ylmethoxy)ethyl]guanidine
CID 111779625
tert-butyl 2-[[ethylamino-[3-(oxolan-2-ylmethoxy)propylamino]methylidene]amino]acetate;hydroiodide
CID 111787414
1-(3-ethoxypropyl)-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111222112
N-cyclohexyl-2-[[ethylamino-(2-methoxyethylamino)methylidene]amino]acetamide;hydroiodide
CID 110940777
N-cyclohexyl-2-[[ethylamino-(3-phenoxypropylamino)methylidene]amino]acetamide;hydroiodide
CID 111418352
N-cyclopropyl-2-[[[3-(oxolan-2-ylmethoxy)propylamino]-(4-propan-2-yloxyanilino)methylidene]amino]acetamide;hydroiodide
CID 111872718
N-ethyl-4-[[[ethylamino-[3-(oxolan-2-ylmethoxy)propylamino]methylidene]amino]methyl]benzamide
CID 111409721
1-(3-cyclopentyloxypropyl)-3-ethyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111408958
3-[[ethylamino-[3-(oxolan-2-ylmethoxy)propylamino]methylidene]amino]-2,2-dimethylpropanamide;hydroiodide
CID 111407782
1-ethyl-3-hexyl-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111161880
1-ethyl-3-[4-(2-methoxyethoxy)butyl]-2-[3-(oxolan-2-ylmethoxy)propyl]guanidine;hydroiodide
CID 111408966
N,N-dimethyl-2-[[[3-(oxolan-2-ylmethoxy)propylamino]-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 111777483

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[ethylamino-[3-(oxolan-2-ylmethoxy)propylamino]methylidene]amino]acetamide?
The IUPAC name of N-cyclohexyl-2-[[ethylamino-[3-(oxolan-2-ylmethoxy)propylamino]methylidene]amino]acetamide (CID 111408961) is N-cyclohexyl-2-[[ethylamino-[3-(oxolan-2-ylmethoxy)propylamino]methylidene]amino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[ethylamino-[3-(oxolan-2-ylmethoxy)propylamino]methylidene]amino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[ethylamino-[3-(oxolan-2-ylmethoxy)propylamino]methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC1CCCCC1)NCCCOCC1CCCO1.
What is the InChIKey of N-cyclohexyl-2-[[ethylamino-[3-(oxolan-2-ylmethoxy)propylamino]methylidene]amino]acetamide?
The InChIKey is OEGQMOMKACYQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N4O3/c1-2-20-19(21-11-7-12-25-15-17-10-6-13-26-17)22-14-18(24)23-16-8-4-3-5-9-16/h16-17H,2-15H2,1H3,(H,23,24)(H2,20,21,22).
What are the key properties of N-cyclohexyl-2-[[ethylamino-[3-(oxolan-2-ylmethoxy)propylamino]methylidene]amino]acetamide?
N-cyclohexyl-2-[[ethylamino-[3-(oxolan-2-ylmethoxy)propylamino]methylidene]amino]acetamide has a molecular weight of 368.52 g/mol, XLogP of 1.58, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[ethylamino-[3-(oxolan-2-ylmethoxy)propylamino]methylidene]amino]acetamide is sourced from PubChem (CID 111408961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).