N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]furan-2-carboxamide

C14H24N4O2 — CID 111158721

IUPACN-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]furan-2-carboxamide
SMILESCCCCN(C)/C(=N\C)NCCNC(=O)c1ccco1
InChIInChI=1S/C14H24N4O2/c1-4-5-10-18(3)14(15-2)17-9-8-16-13(19)12-7-6-11-20-12/h6-7,11H,4-5,8-10H2,1-3H3,(H,15,17)(H,16,19)
InChIKeyNKOUFACIONRHFN-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.32
Rot. Bonds7

About N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]furan-2-carboxamide

N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]furan-2-carboxamide (PubChem CID 111158721) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]furan-2-carboxamide
PubChem CID111158721
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]furan-2-carboxamide
SMILESCCCCN(C)/C(=N\C)NCCNC(=O)c1ccco1
InChIInChI=1S/C14H24N4O2/c1-4-5-10-18(3)14(15-2)17-9-8-16-13(19)12-7-6-11-20-12/h6-7,11H,4-5,8-10H2,1-3H3,(H,15,17)(H,16,19)
InChIKeyNKOUFACIONRHFN-UHFFFAOYSA-N
XLogP1.32
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
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

N-[2-[(N-hept-6-enyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]furan-2-carboxamide;hydroiodide
CID 109483752
N-[2-[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111158080
N-[2-[[N,N'-dimethyl-N-[(4-methylphenyl)methyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111289097
N-[2-[[N-[(2-chlorophenyl)methyl]-N,N'-dimethylcarbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111294509
N-butyl-N-methylfuran-2-carboxamide
CID 60670878
N-[2-[(N'-methyl-N-propylcarbamimidoyl)amino]ethyl]furan-2-carboxamide
CID 111225967
3-[2-[benzyl(methyl)amino]ethyl]-1-butyl-1,2-dimethylguanidine
CID 111158859
3-[[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]methyl]-N-(furan-2-ylmethyl)benzamide;hydroiodide
CID 111158272
2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111158100
N-[2-(pentanoylamino)ethyl]furan-2-carboxamide
CID 33189840
N-[4-[[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111159045
N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 111159389

Frequently Asked Questions

What is the IUPAC name of N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]furan-2-carboxamide (CID 111158721) is N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]furan-2-carboxamide is CCCCN(C)/C(=N\C)NCCNC(=O)c1ccco1.
What is the InChIKey of N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]furan-2-carboxamide?
The InChIKey is NKOUFACIONRHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-5-10-18(3)14(15-2)17-9-8-16-13(19)12-7-6-11-20-12/h6-7,11H,4-5,8-10H2,1-3H3,(H,15,17)(H,16,19).
What are the key properties of N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]furan-2-carboxamide?
N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]furan-2-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(N-butyl-N,N'-dimethylcarbamimidoyl)amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 111158721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).