3-[[N'-(3-ethoxypropyl)-N-ethylcarbamimidoyl]amino]-N-propylpropanamide

C14H30N4O2 — CID 111224067

IUPAC3-[[N'-(3-ethoxypropyl)-N-ethylcarbamimidoyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCN/C(=N/CCCOCC)NCC
InChIInChI=1S/C14H30N4O2/c1-4-9-16-13(19)8-11-18-14(15-5-2)17-10-7-12-20-6-3/h4-12H2,1-3H3,(H,16,19)(H2,15,17,18)
InChIKeyZHQOSIWBZATJGQ-UHFFFAOYSA-N
MW286.42 g/mol
LogP0.88
Rot. Bonds11

About 3-[[N'-(3-ethoxypropyl)-N-ethylcarbamimidoyl]amino]-N-propylpropanamide

3-[[N'-(3-ethoxypropyl)-N-ethylcarbamimidoyl]amino]-N-propylpropanamide (PubChem CID 111224067) has the molecular formula C14H30N4O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-[[N'-(3-ethoxypropyl)-N-ethylcarbamimidoyl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[[N'-(3-ethoxypropyl)-N-ethylcarbamimidoyl]amino]-N-propylpropanamide
PubChem CID111224067
Molecular FormulaC14H30N4O2
Molecular Weight286.42 g/mol
Exact Mass286.24
IUPAC Name3-[[N'-(3-ethoxypropyl)-N-ethylcarbamimidoyl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCN/C(=N/CCCOCC)NCC
InChIInChI=1S/C14H30N4O2/c1-4-9-16-13(19)8-11-18-14(15-5-2)17-10-7-12-20-6-3/h4-12H2,1-3H3,(H,16,19)(H2,15,17,18)
InChIKeyZHQOSIWBZATJGQ-UHFFFAOYSA-N
XLogP0.88
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 50.88
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'}

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Related Compounds

3-[(N'-butyl-N-ethylcarbamimidoyl)amino]-N-propylpropanamide
CID 111150008
1-(2-ethoxyethyl)-2-(3-ethoxypropyl)-3-ethylguanidine
CID 111224057
3-[[N-ethyl-N'-(4-methylpentyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111942750
2-(3-ethoxypropyl)-1-ethyl-3-hexylguanidine;hydroiodide
CID 111161864
2-(4-ethoxybutyl)-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111896119
1-(3-ethoxypropyl)-3-ethyl-2-propylguanidine
CID 111224259
2-(3-ethoxypropyl)-1-ethyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)guanidine;hydroiodide
CID 111224260
2-(3-ethoxypropyl)-1-ethyl-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110940605
N-[2-[[N'-(4-ethoxybutyl)-N-ethylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111943872
N-(3-chloro-2-methylphenyl)-3-[[N'-(3-ethoxypropyl)-N-ethylcarbamimidoyl]amino]propanamide
CID 111224621
N-benzyl-3-[[N'-(2-ethoxyethyl)-N-ethylcarbamimidoyl]amino]propanamide
CID 111897161
2-(3-ethoxypropyl)-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 111778471

Frequently Asked Questions

What is the IUPAC name of 3-[[N'-(3-ethoxypropyl)-N-ethylcarbamimidoyl]amino]-N-propylpropanamide?
The IUPAC name of 3-[[N'-(3-ethoxypropyl)-N-ethylcarbamimidoyl]amino]-N-propylpropanamide (CID 111224067) is 3-[[N'-(3-ethoxypropyl)-N-ethylcarbamimidoyl]amino]-N-propylpropanamide.
What is the SMILES notation for 3-[[N'-(3-ethoxypropyl)-N-ethylcarbamimidoyl]amino]-N-propylpropanamide?
The canonical SMILES for 3-[[N'-(3-ethoxypropyl)-N-ethylcarbamimidoyl]amino]-N-propylpropanamide is CCCNC(=O)CCN/C(=N/CCCOCC)NCC.
What is the InChIKey of 3-[[N'-(3-ethoxypropyl)-N-ethylcarbamimidoyl]amino]-N-propylpropanamide?
The InChIKey is ZHQOSIWBZATJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O2/c1-4-9-16-13(19)8-11-18-14(15-5-2)17-10-7-12-20-6-3/h4-12H2,1-3H3,(H,16,19)(H2,15,17,18).
What are the key properties of 3-[[N'-(3-ethoxypropyl)-N-ethylcarbamimidoyl]amino]-N-propylpropanamide?
3-[[N'-(3-ethoxypropyl)-N-ethylcarbamimidoyl]amino]-N-propylpropanamide has a molecular weight of 286.42 g/mol, XLogP of 0.88, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[N'-(3-ethoxypropyl)-N-ethylcarbamimidoyl]amino]-N-propylpropanamide is sourced from PubChem (CID 111224067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).