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

C16H34N4O — CID 111890481

IUPACN-butan-2-yl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]propanamide
SMILESCCN/C(=N\CC(CC)CC)NCCC(=O)NC(C)CC
InChIInChI=1S/C16H34N4O/c1-6-13(5)20-15(21)10-11-18-16(17-9-4)19-12-14(7-2)8-3/h13-14H,6-12H2,1-5H3,(H,20,21)(H2,17,18,19)
InChIKeyRONKCNAUGOPTIV-UHFFFAOYSA-N
MW298.48 g/mol
LogP2.28
Rot. Bonds10

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

N-butan-2-yl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]propanamide (PubChem CID 111890481) has the molecular formula C16H34N4O and a molecular weight of 298.48 g/mol. Its IUPAC name is N-butan-2-yl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]propanamide
PubChem CID111890481
Molecular FormulaC16H34N4O
Molecular Weight298.48 g/mol
Exact Mass298.27
IUPAC NameN-butan-2-yl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]propanamide
SMILESCCN/C(=N\CC(CC)CC)NCCC(=O)NC(C)CC
InChIInChI=1S/C16H34N4O/c1-6-13(5)20-15(21)10-11-18-16(17-9-4)19-12-14(7-2)8-3/h13-14H,6-12H2,1-5H3,(H,20,21)(H2,17,18,19)
InChIKeyRONKCNAUGOPTIV-UHFFFAOYSA-N
XLogP2.28
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.48
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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'-(2-methylpropyl)carbamimidoyl]amino]propanamide
CID 111179527
N-butan-2-yl-3-[[N-ethyl-N'-[2-(2-hydroxyethyl)-4-methylpentyl]carbamimidoyl]amino]propanamide;hydroiodide
CID 111714842
N-butan-2-yl-3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanamide
CID 111129353
N-[2-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]ethyl]acetamide
CID 111890753
3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]-N,N-dimethylpropanamide
CID 111890739
N-butan-2-yl-3-[[N-ethyl-N'-(3-ethyl-2-morpholin-4-ylpentyl)carbamimidoyl]amino]propanamide;hydroiodide
CID 111936282
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-morpholin-4-ylethyl)carbamimidoyl]amino]propanamide
CID 111187571
N-butan-2-yl-3-[[ethylamino(hydrazinyl)methylidene]amino]propanamide
CID 104885363
3-acetamido-N-butan-2-ylpropanamide;ethane
CID 153386915
1-ethyl-2-(2-ethylbutyl)-3-propylguanidine;hydroiodide
CID 111778482
3-[[N'-[3-(azepan-1-yl)propyl]-N-ethylcarbamimidoyl]amino]-N-butan-2-ylpropanamide;hydroiodide
CID 111324711

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]propanamide (CID 111890481) is N-butan-2-yl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]propanamide is CCN/C(=N\CC(CC)CC)NCCC(=O)NC(C)CC.
What is the InChIKey of N-butan-2-yl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]propanamide?
The InChIKey is RONKCNAUGOPTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N4O/c1-6-13(5)20-15(21)10-11-18-16(17-9-4)19-12-14(7-2)8-3/h13-14H,6-12H2,1-5H3,(H,20,21)(H2,17,18,19).
What are the key properties of N-butan-2-yl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]propanamide?
N-butan-2-yl-3-[[N-ethyl-N'-(2-ethylbutyl)carbamimidoyl]amino]propanamide has a molecular weight of 298.48 g/mol, XLogP of 2.28, 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'-(2-ethylbutyl)carbamimidoyl]amino]propanamide is sourced from PubChem (CID 111890481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).