N-butan-2-yl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide

C15H32N4O — CID 111129353

IUPACN-butan-2-yl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide
SMILESCCCCC/N=C(\NCC)NCCC(=O)NC(C)CC
InChIInChI=1S/C15H32N4O/c1-5-8-9-11-17-15(16-7-3)18-12-10-14(20)19-13(4)6-2/h13H,5-12H2,1-4H3,(H,19,20)(H2,16,17,18)
InChIKeyBHYFXWVOABMVNR-UHFFFAOYSA-N
MW284.45 g/mol
LogP2.04
Rot. Bonds10

About N-butan-2-yl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide

N-butan-2-yl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide (PubChem CID 111129353) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is N-butan-2-yl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide
PubChem CID111129353
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC NameN-butan-2-yl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide
SMILESCCCCC/N=C(\NCC)NCCC(=O)NC(C)CC
InChIInChI=1S/C15H32N4O/c1-5-8-9-11-17-15(16-7-3)18-12-10-14(20)19-13(4)6-2/h13H,5-12H2,1-4H3,(H,19,20)(H2,16,17,18)
InChIKeyBHYFXWVOABMVNR-UHFFFAOYSA-N
XLogP2.04
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 52.04
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

N-butan-2-yl-3-[[N-ethyl-N'-[3-(2-methoxyethoxy)propyl]carbamimidoyl]amino]propanamide
CID 111404237
N-butan-2-yl-3-[[N-ethyl-N'-(2-methylpropyl)carbamimidoyl]amino]propanamide
CID 111179527
3-[[N'-[3-(azepan-1-yl)propyl]-N-ethylcarbamimidoyl]amino]-N-butan-2-ylpropanamide;hydroiodide
CID 111324711
N-butan-2-yl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]propanamide
CID 111890481
N-butan-2-yl-3-[[N-ethyl-N'-(2-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide
CID 111187571
3-[(N'-butyl-N-ethylcarbamimidoyl)amino]-N-propylpropanamide
CID 111150008
N-[2-[(N-ethyl-N'-pentylcarbamimidoyl)amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111130141
propan-2-yl 3-[(N-ethyl-N'-hexylcarbamimidoyl)amino]propanoate;hydroiodide
CID 111161076
methyl 3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanoate;hydroiodide
CID 111128892
N-butan-2-yl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide
CID 104885363
N-butan-2-yl-3-[(N'-methyl-N-propylcarbamimidoyl)amino]propanamide
CID 111228643
N-cyclopentyl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide
CID 111129988

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide (CID 111129353) is N-butan-2-yl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide is CCCCC/N=C(\NCC)NCCC(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide?
The InChIKey is BHYFXWVOABMVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-5-8-9-11-17-15(16-7-3)18-12-10-14(20)19-13(4)6-2/h13H,5-12H2,1-4H3,(H,19,20)(H2,16,17,18).
What are the key properties of N-butan-2-yl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide?
N-butan-2-yl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide has a molecular weight of 284.45 g/mol, XLogP of 2.04, 10 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide is sourced from PubChem (CID 111129353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).