N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide

C10H19F3N4O — CID 109471281

IUPACN-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide
SMILESCCN/C(=N\CCC(F)(F)F)NCCNC(C)=O
InChIInChI=1S/C10H19F3N4O/c1-3-14-9(16-5-4-10(11,12)13)17-7-6-15-8(2)18/h3-7H2,1-2H3,(H,15,18)(H2,14,16,17)
InChIKeyGRUIOJFUHKAMQJ-UHFFFAOYSA-N
MW268.28 g/mol
LogP0.63
Rot. Bonds6

About N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide

N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide (PubChem CID 109471281) has the molecular formula C10H19F3N4O and a molecular weight of 268.28 g/mol. Its IUPAC name is N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide
PubChem CID109471281
Molecular FormulaC10H19F3N4O
Molecular Weight268.28 g/mol
Exact Mass268.15
IUPAC NameN-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide
SMILESCCN/C(=N\CCC(F)(F)F)NCCNC(C)=O
InChIInChI=1S/C10H19F3N4O/c1-3-14-9(16-5-4-10(11,12)13)17-7-6-15-8(2)18/h3-7H2,1-2H3,(H,15,18)(H2,14,16,17)
InChIKeyGRUIOJFUHKAMQJ-UHFFFAOYSA-N
XLogP0.63
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide (CID 109471281) is N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide is CCN/C(=N\CCC(F)(F)F)NCCNC(C)=O.
What is the InChIKey of N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide?
The InChIKey is GRUIOJFUHKAMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O/c1-3-14-9(16-5-4-10(11,12)13)17-7-6-15-8(2)18/h3-7H2,1-2H3,(H,15,18)(H2,14,16,17).
What are the key properties of N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide?
N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide has a molecular weight of 268.28 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N-ethyl-N'-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]acetamide is sourced from PubChem (CID 109471281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).