3-[(N'-butylcarbamimidoyl)amino]-N-propylpropanamide

C11H24N4O — CID 111077863

IUPAC3-[(N'-butylcarbamimidoyl)amino]-N-propylpropanamide
SMILESCCCC/N=C(\N)NCCC(=O)NCCC
InChIInChI=1S/C11H24N4O/c1-3-5-8-14-11(12)15-9-6-10(16)13-7-4-2/h3-9H2,1-2H3,(H,13,16)(H3,12,14,15)
InChIKeyNBLMXYZYWHAJQZ-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.61
Rot. Bonds8

About 3-[(N'-butylcarbamimidoyl)amino]-N-propylpropanamide

3-[(N'-butylcarbamimidoyl)amino]-N-propylpropanamide (PubChem CID 111077863) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-[(N'-butylcarbamimidoyl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(N'-butylcarbamimidoyl)amino]-N-propylpropanamide
PubChem CID111077863
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name3-[(N'-butylcarbamimidoyl)amino]-N-propylpropanamide
SMILESCCCC/N=C(\N)NCCC(=O)NCCC
InChIInChI=1S/C11H24N4O/c1-3-5-8-14-11(12)15-9-6-10(16)13-7-4-2/h3-9H2,1-2H3,(H,13,16)(H3,12,14,15)
InChIKeyNBLMXYZYWHAJQZ-UHFFFAOYSA-N
XLogP0.61
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.61
H-Bond Donors ≤ 53
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'-butyl-N-ethylcarbamimidoyl)amino]-N-propylpropanamide
CID 111150008
3-[[N'-(3-morpholin-4-ylpropyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111077888
1,2-dibutylguanidine;phosphoric acid
CID 166600390
3-[[N'-(2-methylprop-2-enyl)carbamimidoyl]amino]-N-propylpropanamide;hydroiodide
CID 111077930
N-(4-bromophenyl)-3-[(N'-hexylcarbamimidoyl)amino]propanamide
CID 111076869
methyl 3-[(N'-octylcarbamimidoyl)amino]propanoate;hydroiodide
CID 111063886
N-cyclopentyl-3-[(N'-octylcarbamimidoyl)amino]propanamide
CID 111079277
1,2-dibutylguanidine;nitric acid
CID 161280098
6-(diaminomethylideneamino)-N-[2-oxo-2-(propylamino)ethyl]hexanamide
CID 143157402
N-(4-bromo-2-methylphenyl)-3-[(N'-butylcarbamimidoyl)amino]propanamide;hydroiodide
CID 111092341
2-butyl-1-[2-(diethylamino)ethyl]guanidine
CID 111022666
3-[[amino-(4-ethylanilino)methylidene]amino]-N-propylpropanamide
CID 111077891

Frequently Asked Questions

What is the IUPAC name of 3-[(N'-butylcarbamimidoyl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(N'-butylcarbamimidoyl)amino]-N-propylpropanamide (CID 111077863) is 3-[(N'-butylcarbamimidoyl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(N'-butylcarbamimidoyl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(N'-butylcarbamimidoyl)amino]-N-propylpropanamide is CCCC/N=C(\N)NCCC(=O)NCCC.
What is the InChIKey of 3-[(N'-butylcarbamimidoyl)amino]-N-propylpropanamide?
The InChIKey is NBLMXYZYWHAJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-3-5-8-14-11(12)15-9-6-10(16)13-7-4-2/h3-9H2,1-2H3,(H,13,16)(H3,12,14,15).
What are the key properties of 3-[(N'-butylcarbamimidoyl)amino]-N-propylpropanamide?
3-[(N'-butylcarbamimidoyl)amino]-N-propylpropanamide has a molecular weight of 228.34 g/mol, XLogP of 0.61, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N'-butylcarbamimidoyl)amino]-N-propylpropanamide is sourced from PubChem (CID 111077863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).