N-(2-methoxyethyl)-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide

C14H26F3N5O2 — CID 109376561

IUPACN-(2-methoxyethyl)-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide
SMILESC/N=C(\NCC(=O)NCCOC)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C14H26F3N5O2/c1-11(14(15,16)17)21-5-7-22(8-6-21)13(18-2)20-10-12(23)19-4-9-24-3/h11H,4-10H2,1-3H3,(H,18,20)(H,19,23)
InChIKeyXONRJAXEEZTKJK-UHFFFAOYSA-N
MW353.39 g/mol
LogP-0.11
Rot. Bonds6

About N-(2-methoxyethyl)-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide

N-(2-methoxyethyl)-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide (PubChem CID 109376561) has the molecular formula C14H26F3N5O2 and a molecular weight of 353.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide
PubChem CID109376561
Molecular FormulaC14H26F3N5O2
Molecular Weight353.39 g/mol
Exact Mass353.20
IUPAC NameN-(2-methoxyethyl)-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide
SMILESC/N=C(\NCC(=O)NCCOC)N1CCN(C(C)C(F)(F)F)CC1
InChIInChI=1S/C14H26F3N5O2/c1-11(14(15,16)17)21-5-7-22(8-6-21)13(18-2)20-10-12(23)19-4-9-24-3/h11H,4-10H2,1-3H3,(H,18,20)(H,19,23)
InChIKeyXONRJAXEEZTKJK-UHFFFAOYSA-N
XLogP-0.11
TPSA69.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide (CID 109376561) is N-(2-methoxyethyl)-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide is C/N=C(\NCC(=O)NCCOC)N1CCN(C(C)C(F)(F)F)CC1.
What is the InChIKey of N-(2-methoxyethyl)-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide?
The InChIKey is XONRJAXEEZTKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N5O2/c1-11(14(15,16)17)21-5-7-22(8-6-21)13(18-2)20-10-12(23)19-4-9-24-3/h11H,4-10H2,1-3H3,(H,18,20)(H,19,23).
What are the key properties of N-(2-methoxyethyl)-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide?
N-(2-methoxyethyl)-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide has a molecular weight of 353.39 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[[N-methyl-C-[4-(1,1,1-trifluoropropan-2-yl)piperazin-1-yl]carbonimidoyl]amino]acetamide is sourced from PubChem (CID 109376561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).