N-[3-[2-[[N-ethyl-N'-[(2-fluorophenyl)methyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide

C20H25FN4O2 — CID 111265831

IUPACN-[3-[2-[[N-ethyl-N'-[(2-fluorophenyl)methyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide
SMILESCCN/C(=N\Cc1ccccc1F)NCCOc1cccc(NC(C)=O)c1
InChIInChI=1S/C20H25FN4O2/c1-3-22-20(24-14-16-7-4-5-10-19(16)21)23-11-12-27-18-9-6-8-17(13-18)25-15(2)26/h4-10,13H,3,11-12,14H2,1-2H3,(H,25,26)(H2,22,23,24)
InChIKeyMHOAKFQPRWCWQE-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.92
Rot. Bonds8

About N-[3-[2-[[N-ethyl-N'-[(2-fluorophenyl)methyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide

N-[3-[2-[[N-ethyl-N'-[(2-fluorophenyl)methyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide (PubChem CID 111265831) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is N-[3-[2-[[N-ethyl-N'-[(2-fluorophenyl)methyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-[[N-ethyl-N'-[(2-fluorophenyl)methyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide
PubChem CID111265831
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC NameN-[3-[2-[[N-ethyl-N'-[(2-fluorophenyl)methyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide
SMILESCCN/C(=N\Cc1ccccc1F)NCCOc1cccc(NC(C)=O)c1
InChIInChI=1S/C20H25FN4O2/c1-3-22-20(24-14-16-7-4-5-10-19(16)21)23-11-12-27-18-9-6-8-17(13-18)25-15(2)26/h4-10,13H,3,11-12,14H2,1-2H3,(H,25,26)(H2,22,23,24)
InChIKeyMHOAKFQPRWCWQE-UHFFFAOYSA-N
XLogP2.92
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.92
H-Bond Donors ≤ 53
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-[3-[2-[(N'-benzyl-N-ethylcarbamimidoyl)amino]ethoxy]phenyl]acetamide;hydroiodide
CID 110954521
N-[3-[2-[[N-[2-(2-fluorophenyl)ethyl]-N'-methylcarbamimidoyl]amino]ethoxy]phenyl]acetamide
CID 111362697
N-[3-[2-[[N-ethyl-N'-[2-(3-fluorophenyl)ethyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide
CID 111395809
N-[3-[2-[[N-ethyl-N'-(4-methylpentyl)carbamimidoyl]amino]ethoxy]phenyl]acetamide;hydroiodide
CID 111943840
N-[3-[2-[[N-ethyl-N'-[3-(2-methoxyethoxy)propyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide
CID 111405693
N-[3-[2-[[N-ethyl-N'-[2-(4-methoxyphenyl)ethyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide
CID 111169428
N-[3-[2-[[N-ethyl-N'-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide;hydroiodide
CID 111586464
N-[3-[2-[[N'-[3-[di(propan-2-yl)amino]propyl]-N-ethylcarbamimidoyl]amino]ethoxy]phenyl]acetamide;hydroiodide
CID 111692451
N-[3-[2-[[N-ethyl-N'-[2-(2-methoxy-5-methylphenyl)ethyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide;hydroiodide
CID 111389064
N-[3-[2-[[N'-(3-cyclohexyloxypropyl)-N-ethylcarbamimidoyl]amino]ethoxy]phenyl]acetamide
CID 111397642
2-benzyl-1-ethyl-3-[2-(3-fluorophenoxy)ethyl]guanidine
CID 110952618
3-[2-[[[2-(3-acetamidophenoxy)ethylamino]-(ethylamino)methylidene]amino]ethyl]-N-methylbenzamide;hydroiodide
CID 111632762

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[[N-ethyl-N'-[(2-fluorophenyl)methyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide?
The IUPAC name of N-[3-[2-[[N-ethyl-N'-[(2-fluorophenyl)methyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide (CID 111265831) is N-[3-[2-[[N-ethyl-N'-[(2-fluorophenyl)methyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-[[N-ethyl-N'-[(2-fluorophenyl)methyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide?
The canonical SMILES for N-[3-[2-[[N-ethyl-N'-[(2-fluorophenyl)methyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide is CCN/C(=N\Cc1ccccc1F)NCCOc1cccc(NC(C)=O)c1.
What is the InChIKey of N-[3-[2-[[N-ethyl-N'-[(2-fluorophenyl)methyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide?
The InChIKey is MHOAKFQPRWCWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-3-22-20(24-14-16-7-4-5-10-19(16)21)23-11-12-27-18-9-6-8-17(13-18)25-15(2)26/h4-10,13H,3,11-12,14H2,1-2H3,(H,25,26)(H2,22,23,24).
What are the key properties of N-[3-[2-[[N-ethyl-N'-[(2-fluorophenyl)methyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide?
N-[3-[2-[[N-ethyl-N'-[(2-fluorophenyl)methyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide has a molecular weight of 372.44 g/mol, XLogP of 2.92, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[[N-ethyl-N'-[(2-fluorophenyl)methyl]carbamimidoyl]amino]ethoxy]phenyl]acetamide is sourced from PubChem (CID 111265831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).