2-(dimethylcarbamoylamino)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide

C13H18FN3O3 — CID 166303471

IUPAC2-(dimethylcarbamoylamino)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CONC(=O)N(C)C)c1ccc(F)cc1
InChIInChI=1S/C13H18FN3O3/c1-9(10-4-6-11(14)7-5-10)15-12(18)8-20-16-13(19)17(2)3/h4-7,9H,8H2,1-3H3,(H,15,18)(H,16,19)/t9-/m1/s1
InChIKeyLVLVZXBUVWWYBQ-SECBINFHSA-N
MW283.30 g/mol
LogP1.21
Rot. Bonds5

About 2-(dimethylcarbamoylamino)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide

2-(dimethylcarbamoylamino)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 166303471) has the molecular formula C13H18FN3O3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-(dimethylcarbamoylamino)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(dimethylcarbamoylamino)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
PubChem CID166303471
Molecular FormulaC13H18FN3O3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name2-(dimethylcarbamoylamino)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
SMILESC[C@@H](NC(=O)CONC(=O)N(C)C)c1ccc(F)cc1
InChIInChI=1S/C13H18FN3O3/c1-9(10-4-6-11(14)7-5-10)15-12(18)8-20-16-13(19)17(2)3/h4-7,9H,8H2,1-3H3,(H,15,18)(H,16,19)/t9-/m1/s1
InChIKeyLVLVZXBUVWWYBQ-SECBINFHSA-N
XLogP1.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(dimethylcarbamoylamino)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(4-fluorophenyl)ethyl]-2-propoxyacetamide
CID 114018739
2-(4-aminophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 61026509
3-amino-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61247716
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
2-(2-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 16546160
N-[(1R)-1-(4-fluorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632446
2-[2-aminoethyl(methyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 62687201
[2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl] 4-chlorobenzoate
CID 2629341
4-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethoxy]benzamide
CID 51139810
1-ethyl-3-[1-(4-fluorophenyl)ethyl]-1-methylurea
CID 115603501
3-(4-fluorophenoxy)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 43060182
2-(2-ethoxyphenoxy)-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 7930315

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylcarbamoylamino)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-(dimethylcarbamoylamino)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide (CID 166303471) is 2-(dimethylcarbamoylamino)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-(dimethylcarbamoylamino)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-(dimethylcarbamoylamino)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide is C[C@@H](NC(=O)CONC(=O)N(C)C)c1ccc(F)cc1.
What is the InChIKey of 2-(dimethylcarbamoylamino)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is LVLVZXBUVWWYBQ-SECBINFHSA-N. The full InChI is InChI=1S/C13H18FN3O3/c1-9(10-4-6-11(14)7-5-10)15-12(18)8-20-16-13(19)17(2)3/h4-7,9H,8H2,1-3H3,(H,15,18)(H,16,19)/t9-/m1/s1.
What are the key properties of 2-(dimethylcarbamoylamino)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
2-(dimethylcarbamoylamino)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 283.30 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylcarbamoylamino)oxy-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 166303471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).