N-[4-[[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]methyl]phenyl]furan-2-carboxamide

C22H24N4O2 — CID 111040414

IUPACN-[4-[[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]methyl]phenyl]furan-2-carboxamide
SMILESCN(C)/C(=N\Cc1ccccc1)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C22H24N4O2/c1-26(2)22(23-15-17-7-4-3-5-8-17)24-16-18-10-12-19(13-11-18)25-21(27)20-9-6-14-28-20/h3-14H,15-16H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyLYAOJVMZXPXOLF-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.74
Rot. Bonds6

About N-[4-[[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]methyl]phenyl]furan-2-carboxamide

N-[4-[[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]methyl]phenyl]furan-2-carboxamide (PubChem CID 111040414) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[4-[[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]methyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]methyl]phenyl]furan-2-carboxamide
PubChem CID111040414
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[4-[[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]methyl]phenyl]furan-2-carboxamide
SMILESCN(C)/C(=N\Cc1ccccc1)NCc1ccc(NC(=O)c2ccco2)cc1
InChIInChI=1S/C22H24N4O2/c1-26(2)22(23-15-17-7-4-3-5-8-17)24-16-18-10-12-19(13-11-18)25-21(27)20-9-6-14-28-20/h3-14H,15-16H2,1-2H3,(H,23,24)(H,25,27)
InChIKeyLYAOJVMZXPXOLF-UHFFFAOYSA-N
XLogP3.74
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[4-[[[[butyl(methyl)amino]-(ethylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 111159045
N-[4-[[[amino(anilino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 110917647
4-[[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]methyl]-N-methylbenzamide
CID 111048456
N-[4-[[[ethylamino-[(4-methylphenyl)methylamino]methylidene]amino]methyl]phenyl]furan-2-carboxamide;hydroiodide
CID 111244092
4-[[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]methyl]benzamide
CID 111030268
N-[4-[[[ethylamino-(furan-2-ylmethylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 110937518
N-[4-[(3-phenylpropanoylamino)methyl]phenyl]furan-2-carboxamide
CID 42017934
N-[4-[[[2-(N-methylanilino)benzoyl]amino]methyl]phenyl]furan-2-carboxamide
CID 55759056
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
N-[3-[[[(benzylamino)-(ethylamino)methylidene]amino]methyl]phenyl]furan-2-carboxamide
CID 110954454
2-benzyl-1,1-dimethyl-3-[(4-methylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111045119
ethyl N-[[4-(furan-2-carbonylamino)phenyl]methyl]carbamate
CID 60712061

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]methyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]methyl]phenyl]furan-2-carboxamide (CID 111040414) is N-[4-[[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]methyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]methyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]methyl]phenyl]furan-2-carboxamide is CN(C)/C(=N\Cc1ccccc1)NCc1ccc(NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4-[[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]methyl]phenyl]furan-2-carboxamide?
The InChIKey is LYAOJVMZXPXOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-26(2)22(23-15-17-7-4-3-5-8-17)24-16-18-10-12-19(13-11-18)25-21(27)20-9-6-14-28-20/h3-14H,15-16H2,1-2H3,(H,23,24)(H,25,27).
What are the key properties of N-[4-[[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]methyl]phenyl]furan-2-carboxamide?
N-[4-[[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]methyl]phenyl]furan-2-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(N'-benzyl-N,N-dimethylcarbamimidoyl)amino]methyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 111040414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).