N-(3-fluorophenyl)-2-[[N-[2-(2-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide

C20H25FN4O3 — CID 111682864

IUPACN-(3-fluorophenyl)-2-[[N-[2-(2-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide
SMILESC/N=C(/NCC(=O)Nc1cccc(F)c1)NCC(C)Oc1ccccc1OC
InChIInChI=1S/C20H25FN4O3/c1-14(28-18-10-5-4-9-17(18)27-3)12-23-20(22-2)24-13-19(26)25-16-8-6-7-15(21)11-16/h4-11,14H,12-13H2,1-3H3,(H,25,26)(H2,22,23,24)
InChIKeyUFBODXRJXSGWRL-UHFFFAOYSA-N
MW388.44 g/mol
LogP2.41
Rot. Bonds8

About N-(3-fluorophenyl)-2-[[N-[2-(2-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide

N-(3-fluorophenyl)-2-[[N-[2-(2-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide (PubChem CID 111682864) has the molecular formula C20H25FN4O3 and a molecular weight of 388.44 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[[N-[2-(2-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[[N-[2-(2-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide
PubChem CID111682864
Molecular FormulaC20H25FN4O3
Molecular Weight388.44 g/mol
Exact Mass388.19
IUPAC NameN-(3-fluorophenyl)-2-[[N-[2-(2-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide
SMILESC/N=C(/NCC(=O)Nc1cccc(F)c1)NCC(C)Oc1ccccc1OC
InChIInChI=1S/C20H25FN4O3/c1-14(28-18-10-5-4-9-17(18)27-3)12-23-20(22-2)24-13-19(26)25-16-8-6-7-15(21)11-16/h4-11,14H,12-13H2,1-3H3,(H,25,26)(H2,22,23,24)
InChIKeyUFBODXRJXSGWRL-UHFFFAOYSA-N
XLogP2.41
TPSA83.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-[[N-[2-(2-fluorophenoxy)propyl]-N'-methylcarbamimidoyl]amino]-N-(3-fluorophenyl)acetamide;hydroiodide
CID 111684425
N-(3-fluorophenyl)-2-[[N-[2-(3-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111679515
N-(3-fluorophenyl)-2-[[N'-methyl-N-(2-phenylpropyl)carbamimidoyl]amino]acetamide
CID 111343175
N-(2-methoxyethyl)-2-[[N-[2-(2-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111683041
2-(4-fluorophenyl)-N-[2-[[N-[2-(2-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]acetamide
CID 111682850
N-(3-fluorophenyl)-2-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 110977956
2-(4-fluorophenyl)-N-[2-[[N-[2-(2-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111682849
N-(3-fluorophenyl)-2-[[N'-methyl-N-(1-phenylethyl)carbamimidoyl]amino]acetamide
CID 110948718
1-[2-(3-fluorophenoxy)propyl]-3-[(2-methoxyphenyl)methyl]-2-methylguanidine
CID 111503099
N-(3-fluorophenyl)-2-[[N-[(2-fluorophenyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111266863
1-ethyl-3-[2-(2-methoxyphenoxy)propyl]-2-methylguanidine;hydroiodide
CID 75494544
2-[(N-butyl-N'-methylcarbamimidoyl)amino]-N-(3-fluorophenyl)acetamide
CID 111150888

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[[N-[2-(2-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[[N-[2-(2-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide (CID 111682864) is N-(3-fluorophenyl)-2-[[N-[2-(2-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[[N-[2-(2-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[[N-[2-(2-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide is C/N=C(/NCC(=O)Nc1cccc(F)c1)NCC(C)Oc1ccccc1OC.
What is the InChIKey of N-(3-fluorophenyl)-2-[[N-[2-(2-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide?
The InChIKey is UFBODXRJXSGWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O3/c1-14(28-18-10-5-4-9-17(18)27-3)12-23-20(22-2)24-13-19(26)25-16-8-6-7-15(21)11-16/h4-11,14H,12-13H2,1-3H3,(H,25,26)(H2,22,23,24).
What are the key properties of N-(3-fluorophenyl)-2-[[N-[2-(2-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide?
N-(3-fluorophenyl)-2-[[N-[2-(2-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide has a molecular weight of 388.44 g/mol, XLogP of 2.41, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[[N-[2-(2-methoxyphenoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide is sourced from PubChem (CID 111682864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).