N-[3-[[2-(dimethylamino)acetyl]amino]propyl]-2,2,2-trifluoroacetamide

C9H16F3N3O2 — CID 87130166

IUPACN-[3-[[2-(dimethylamino)acetyl]amino]propyl]-2,2,2-trifluoroacetamide
SMILESCN(C)CC(=O)NCCCNC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3N3O2/c1-15(2)6-7(16)13-4-3-5-14-8(17)9(10,11)12/h3-6H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyIFQXMRUHDCIBIU-UHFFFAOYSA-N
MW255.24 g/mol
LogP-0.27
Rot. Bonds6

About N-[3-[[2-(dimethylamino)acetyl]amino]propyl]-2,2,2-trifluoroacetamide

N-[3-[[2-(dimethylamino)acetyl]amino]propyl]-2,2,2-trifluoroacetamide (PubChem CID 87130166) has the molecular formula C9H16F3N3O2 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-[3-[[2-(dimethylamino)acetyl]amino]propyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-[[2-(dimethylamino)acetyl]amino]propyl]-2,2,2-trifluoroacetamide
PubChem CID87130166
Molecular FormulaC9H16F3N3O2
Molecular Weight255.24 g/mol
Exact Mass255.12
IUPAC NameN-[3-[[2-(dimethylamino)acetyl]amino]propyl]-2,2,2-trifluoroacetamide
SMILESCN(C)CC(=O)NCCCNC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3N3O2/c1-15(2)6-7(16)13-4-3-5-14-8(17)9(10,11)12/h3-6H2,1-2H3,(H,13,16)(H,14,17)
InChIKeyIFQXMRUHDCIBIU-UHFFFAOYSA-N
XLogP-0.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(dimethylamino)acetyl]amino]propyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-[[2-(dimethylamino)acetyl]amino]propyl]-2,2,2-trifluoroacetamide (CID 87130166) is N-[3-[[2-(dimethylamino)acetyl]amino]propyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-[[2-(dimethylamino)acetyl]amino]propyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-[[2-(dimethylamino)acetyl]amino]propyl]-2,2,2-trifluoroacetamide is CN(C)CC(=O)NCCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[3-[[2-(dimethylamino)acetyl]amino]propyl]-2,2,2-trifluoroacetamide?
The InChIKey is IFQXMRUHDCIBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O2/c1-15(2)6-7(16)13-4-3-5-14-8(17)9(10,11)12/h3-6H2,1-2H3,(H,13,16)(H,14,17).
What are the key properties of N-[3-[[2-(dimethylamino)acetyl]amino]propyl]-2,2,2-trifluoroacetamide?
N-[3-[[2-(dimethylamino)acetyl]amino]propyl]-2,2,2-trifluoroacetamide has a molecular weight of 255.24 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(dimethylamino)acetyl]amino]propyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 87130166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).