N,N-diethyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide

C15H32N4O — CID 111129261

IUPACN,N-diethyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide
SMILESCCCCC/N=C(\NCC)NCCC(=O)N(CC)CC
InChIInChI=1S/C15H32N4O/c1-5-9-10-12-17-15(16-6-2)18-13-11-14(20)19(7-3)8-4/h5-13H2,1-4H3,(H2,16,17,18)
InChIKeyIBSPJRQFFUXEOI-UHFFFAOYSA-N
MW284.45 g/mol
LogP1.99
Rot. Bonds10

About N,N-diethyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide

N,N-diethyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide (PubChem CID 111129261) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is N,N-diethyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide
PubChem CID111129261
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC NameN,N-diethyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide
SMILESCCCCC/N=C(\NCC)NCCC(=O)N(CC)CC
InChIInChI=1S/C15H32N4O/c1-5-9-10-12-17-15(16-6-2)18-13-11-14(20)19(7-3)8-4/h5-13H2,1-4H3,(H2,16,17,18)
InChIKeyIBSPJRQFFUXEOI-UHFFFAOYSA-N
XLogP1.99
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 51.99
H-Bond Donors ≤ 52
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'}

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Related Compounds

3-[[N'-[4-(diethylamino)butyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide
CID 111942097
N,N-diethyl-3-[[N-ethyl-N'-(2-methylsulfonylethyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111941788
propan-2-yl 3-[[[[3-(diethylamino)-3-oxopropyl]amino]-(ethylamino)methylidene]amino]propanoate
CID 111941501
methyl 3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanoate;hydroiodide
CID 111128892
N,N-diethyl-3-[[N-ethyl-N'-(2-piperidin-1-ylethyl)carbamimidoyl]amino]propanamide
CID 111416899
N,N-diethyl-3-[[N-ethyl-N'-[2-(2-methylpropoxy)ethyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111941816
N,N-diethyl-3-[[N-ethyl-N'-[3-(4-methylpiperidin-1-yl)propyl]carbamimidoyl]amino]propanamide
CID 111387892
N,N-diethyl-3-[[N-ethyl-N'-[4-(2-oxo-1-pyridinyl)butyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111942326
N,N-diethyl-3-[[N-ethyl-N'-[3-(4-methylphenoxy)propyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111942170
N,N-diethyl-3-[[N-ethyl-N'-[4-(pyridin-2-ylamino)butyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111942058
3-[[N'-[3-[benzyl(methyl)amino]propyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide;hydroiodide
CID 111942064
3-[[N'-(3-benzylsulfonylpropyl)-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide
CID 111942021

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide?
The IUPAC name of N,N-diethyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide (CID 111129261) is N,N-diethyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide.
What is the SMILES notation for N,N-diethyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide?
The canonical SMILES for N,N-diethyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide is CCCCC/N=C(\NCC)NCCC(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide?
The InChIKey is IBSPJRQFFUXEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-5-9-10-12-17-15(16-6-2)18-13-11-14(20)19(7-3)8-4/h5-13H2,1-4H3,(H2,16,17,18).
What are the key properties of N,N-diethyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide?
N,N-diethyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide has a molecular weight of 284.45 g/mol, XLogP of 1.99, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide is sourced from PubChem (CID 111129261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).