N,N-dimethyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide

C8H15F3N4O2 — CID 103369616

IUPACN,N-dimethyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide
SMILESCN(C)C(=O)CNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C8H15F3N4O2/c1-15(2)6(16)4-13-3-5(7(12)14-17)8(9,10)11/h5,13,17H,3-4H2,1-2H3,(H2,12,14)
InChIKeyUEKYUMIKOVMVFO-UHFFFAOYSA-N
MW256.23 g/mol
LogP-0.41
Rot. Bonds5

About N,N-dimethyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide

N,N-dimethyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide (PubChem CID 103369616) has the molecular formula C8H15F3N4O2 and a molecular weight of 256.23 g/mol. Its IUPAC name is N,N-dimethyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide
PubChem CID103369616
Molecular FormulaC8H15F3N4O2
Molecular Weight256.23 g/mol
Exact Mass256.11
IUPAC NameN,N-dimethyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide
SMILESCN(C)C(=O)CNCC(C(N)=NO)C(F)(F)F
InChIInChI=1S/C8H15F3N4O2/c1-15(2)6(16)4-13-3-5(7(12)14-17)8(9,10)11/h5,13,17H,3-4H2,1-2H3,(H2,12,14)
InChIKeyUEKYUMIKOVMVFO-UHFFFAOYSA-N
XLogP-0.41
TPSA90.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 5-0.41
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-3-hydroxyimino-2-methylpropyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103310824
2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide
CID 103369567
N-methyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide
CID 103369615
N-[2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]ethyl]acetamide
CID 103369639
2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide
CID 103369641
N-propyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide
CID 103369644
N-cyclopropyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide
CID 103369645
2-methyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide
CID 103369759
N,N-dimethyl-3-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide
CID 103369809
N-methyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide
CID 103369840
N-propyl-3-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide
CID 103369851
N-propyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]propanamide
CID 103369866

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide?
The IUPAC name of N,N-dimethyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide (CID 103369616) is N,N-dimethyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide is CN(C)C(=O)CNCC(C(N)=NO)C(F)(F)F.
What is the InChIKey of N,N-dimethyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide?
The InChIKey is UEKYUMIKOVMVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N4O2/c1-15(2)6(16)4-13-3-5(7(12)14-17)8(9,10)11/h5,13,17H,3-4H2,1-2H3,(H2,12,14).
What are the key properties of N,N-dimethyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide?
N,N-dimethyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide has a molecular weight of 256.23 g/mol, XLogP of -0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[3,3,3-trifluoro-2-(N'-hydroxycarbamimidoyl)propyl]amino]acetamide is sourced from PubChem (CID 103369616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).