N-(4-fluorophenyl)-2-[[N-[3-(2-methoxyethoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide

C16H25FN4O3 — CID 111404781

IUPACN-(4-fluorophenyl)-2-[[N-[3-(2-methoxyethoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide
SMILESC/N=C(\NCCCOCCOC)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H25FN4O3/c1-18-16(19-8-3-9-24-11-10-23-2)20-12-15(22)21-14-6-4-13(17)5-7-14/h4-7H,3,8-12H2,1-2H3,(H,21,22)(H2,18,19,20)
InChIKeyNLDLUTWQRYRRED-UHFFFAOYSA-N
MW340.40 g/mol
LogP0.98
Rot. Bonds10

About N-(4-fluorophenyl)-2-[[N-[3-(2-methoxyethoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide

N-(4-fluorophenyl)-2-[[N-[3-(2-methoxyethoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide (PubChem CID 111404781) has the molecular formula C16H25FN4O3 and a molecular weight of 340.40 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[[N-[3-(2-methoxyethoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[[N-[3-(2-methoxyethoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide
PubChem CID111404781
Molecular FormulaC16H25FN4O3
Molecular Weight340.40 g/mol
Exact Mass340.19
IUPAC NameN-(4-fluorophenyl)-2-[[N-[3-(2-methoxyethoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide
SMILESC/N=C(\NCCCOCCOC)NCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H25FN4O3/c1-18-16(19-8-3-9-24-11-10-23-2)20-12-15(22)21-14-6-4-13(17)5-7-14/h4-7H,3,8-12H2,1-2H3,(H,21,22)(H2,18,19,20)
InChIKeyNLDLUTWQRYRRED-UHFFFAOYSA-N
XLogP0.98
TPSA83.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(butylcarbamoylamino)-N-(3,4-difluorophenyl)acetamide
CID 2079299
N1-(3-fluorophenyl)-N2-(3-methoxypropyl)oxalamide
CID 7292821
N-(3-fluorophenyl)-2-[4-methyl-6-oxo-2-(pyrrolidin-1-yl)-1,6-dihydropyrimidin-1-yl]acetamide
CID 49667234
N-(4-fluorophenyl)-2-[4-methyl-6-oxo-2-(pyrrolidin-1-yl)-1,6-dihydropyrimidin-1-yl]acetamide
CID 49667235
N-(2,5-difluorophenyl)-2-[4-methyl-6-oxo-2-(pyrrolidin-1-yl)-1,6-dihydropyrimidin-1-yl]acetamide
CID 49667236
N-(3,4-difluorophenyl)-2-[4-methyl-6-oxo-2-(pyrrolidin-1-yl)-1,6-dihydropyrimidin-1-yl]acetamide
CID 49667237
N-(3-fluorophenyl)-2-[4-methyl-6-oxo-2-(piperidin-1-yl)-1,6-dihydropyrimidin-1-yl]acetamide
CID 49667259
4-[2-(3-ethoxypropylamino)-2-oxoethyl]-N-(4-fluorophenyl)-3-oxopiperazine-1-carboxamide
CID 50832862
N-(2-Fluorophenyl)-2-[4-methyl-6-oxo-2-(pyrrolidin-1-YL)-1,6-dihydropyrimidin-1-YL]acetamide
CID 53201669
N-(2-Fluorophenyl)-2-[4-methyl-6-oxo-2-(piperidin-1-YL)-1,6-dihydropyrimidin-1-YL]acetamide
CID 53201682
N-(4-Fluorophenyl)-2-[4-methyl-6-oxo-2-(piperidin-1-YL)-1,6-dihydropyrimidin-1-YL]acetamide
CID 53201683
N-(2,4-Difluorophenyl)-2-[4-methyl-6-oxo-2-(piperidin-1-YL)-1,6-dihydropyrimidin-1-YL]acetamide
CID 53201684

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[[N-[3-(2-methoxyethoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[[N-[3-(2-methoxyethoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide (CID 111404781) is N-(4-fluorophenyl)-2-[[N-[3-(2-methoxyethoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[[N-[3-(2-methoxyethoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[[N-[3-(2-methoxyethoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide is C/N=C(\NCCCOCCOC)NCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[[N-[3-(2-methoxyethoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide?
The InChIKey is NLDLUTWQRYRRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4O3/c1-18-16(19-8-3-9-24-11-10-23-2)20-12-15(22)21-14-6-4-13(17)5-7-14/h4-7H,3,8-12H2,1-2H3,(H,21,22)(H2,18,19,20).
What are the key properties of N-(4-fluorophenyl)-2-[[N-[3-(2-methoxyethoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide?
N-(4-fluorophenyl)-2-[[N-[3-(2-methoxyethoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide has a molecular weight of 340.40 g/mol, XLogP of 0.98, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[[N-[3-(2-methoxyethoxy)propyl]-N'-methylcarbamimidoyl]amino]acetamide is sourced from PubChem (CID 111404781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).