N-[2-[[N'-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-N-ethylcarbamimidoyl]amino]ethyl]furan-2-carboxamide

C19H24F2N4O4 — CID 109494527

IUPACN-[2-[[N'-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-N-ethylcarbamimidoyl]amino]ethyl]furan-2-carboxamide
SMILESCCN/C(=N\CC(O)c1ccc(OC(F)F)cc1)NCCNC(=O)c1ccco1
InChIInChI=1S/C19H24F2N4O4/c1-2-22-19(24-10-9-23-17(27)16-4-3-11-28-16)25-12-15(26)13-5-7-14(8-6-13)29-18(20)21/h3-8,11,15,18,26H,2,9-10,12H2,1H3,(H,23,27)(H2,22,24,25)
InChIKeyOYLUMXYCKNTIBM-UHFFFAOYSA-N
MW410.42 g/mol
LogP1.90
Rot. Bonds10

About N-[2-[[N'-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-N-ethylcarbamimidoyl]amino]ethyl]furan-2-carboxamide

N-[2-[[N'-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-N-ethylcarbamimidoyl]amino]ethyl]furan-2-carboxamide (PubChem CID 109494527) has the molecular formula C19H24F2N4O4 and a molecular weight of 410.42 g/mol. Its IUPAC name is N-[2-[[N'-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-N-ethylcarbamimidoyl]amino]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[N'-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-N-ethylcarbamimidoyl]amino]ethyl]furan-2-carboxamide
PubChem CID109494527
Molecular FormulaC19H24F2N4O4
Molecular Weight410.42 g/mol
Exact Mass410.18
IUPAC NameN-[2-[[N'-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-N-ethylcarbamimidoyl]amino]ethyl]furan-2-carboxamide
SMILESCCN/C(=N\CC(O)c1ccc(OC(F)F)cc1)NCCNC(=O)c1ccco1
InChIInChI=1S/C19H24F2N4O4/c1-2-22-19(24-10-9-23-17(27)16-4-3-11-28-16)25-12-15(26)13-5-7-14(8-6-13)29-18(20)21/h3-8,11,15,18,26H,2,9-10,12H2,1H3,(H,23,27)(H2,22,24,25)
InChIKeyOYLUMXYCKNTIBM-UHFFFAOYSA-N
XLogP1.90
TPSA108.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 51.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-[2-(3-methoxyphenyl)ethyl]guanidine
CID 109494943
2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(4-methylpentyl)guanidine
CID 109494657
2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-(3-ethoxypropyl)-3-ethylguanidine
CID 109495533
2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-(4-phenylmethoxybutyl)guanidine;hydroiodide
CID 109495228
1-(3-anilinopropyl)-2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethylguanidine;hydroiodide
CID 109495658
N-[2-[[N-ethyl-N'-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111309666
N-[2-[[N-ethyl-N'-[2-(2-fluorophenoxy)propyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide
CID 111684644
N-[2-[[N-ethyl-N'-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]carbamimidoyl]amino]ethyl]-2-(3-fluorophenyl)acetamide
CID 109493733
N-[2-[[N-ethyl-N'-[2-(3-methoxyphenoxy)propyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111679711
N-[2-[[N-ethyl-N'-[2-(3-methylphenoxy)propyl]carbamimidoyl]amino]ethyl]furan-2-carboxamide;hydroiodide
CID 111685805
1-[2-(benzenesulfonyl)ethyl]-2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-ethylguanidine;hydroiodide
CID 109495054
2-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-1-ethyl-3-[2-(4-nitroanilino)ethyl]guanidine
CID 109494573

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N'-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-N-ethylcarbamimidoyl]amino]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[N'-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-N-ethylcarbamimidoyl]amino]ethyl]furan-2-carboxamide (CID 109494527) is N-[2-[[N'-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-N-ethylcarbamimidoyl]amino]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[N'-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-N-ethylcarbamimidoyl]amino]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[N'-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-N-ethylcarbamimidoyl]amino]ethyl]furan-2-carboxamide is CCN/C(=N\CC(O)c1ccc(OC(F)F)cc1)NCCNC(=O)c1ccco1.
What is the InChIKey of N-[2-[[N'-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-N-ethylcarbamimidoyl]amino]ethyl]furan-2-carboxamide?
The InChIKey is OYLUMXYCKNTIBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O4/c1-2-22-19(24-10-9-23-17(27)16-4-3-11-28-16)25-12-15(26)13-5-7-14(8-6-13)29-18(20)21/h3-8,11,15,18,26H,2,9-10,12H2,1H3,(H,23,27)(H2,22,24,25).
What are the key properties of N-[2-[[N'-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-N-ethylcarbamimidoyl]amino]ethyl]furan-2-carboxamide?
N-[2-[[N'-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-N-ethylcarbamimidoyl]amino]ethyl]furan-2-carboxamide has a molecular weight of 410.42 g/mol, XLogP of 1.90, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N'-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-N-ethylcarbamimidoyl]amino]ethyl]furan-2-carboxamide is sourced from PubChem (CID 109494527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).