[2-oxo-2-(1-phenylethylamino)ethyl] 2-[(6-chloropyridazin-3-yl)-methylamino]acetate

C17H19ClN4O3 — CID 55649058

IUPAC[2-oxo-2-(1-phenylethylamino)ethyl] 2-[(6-chloropyridazin-3-yl)-methylamino]acetate
SMILESCC(NC(=O)COC(=O)CN(C)c1ccc(Cl)nn1)c1ccccc1
InChIInChI=1S/C17H19ClN4O3/c1-12(13-6-4-3-5-7-13)19-16(23)11-25-17(24)10-22(2)15-9-8-14(18)20-21-15/h3-9,12H,10-11H2,1-2H3,(H,19,23)
InChIKeyZDHUIJYGRGKLKC-UHFFFAOYSA-N
MW362.82 g/mol
LogP1.99
Rot. Bonds7

About [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(6-chloropyridazin-3-yl)-methylamino]acetate

[2-oxo-2-(1-phenylethylamino)ethyl] 2-[(6-chloropyridazin-3-yl)-methylamino]acetate (PubChem CID 55649058) has the molecular formula C17H19ClN4O3 and a molecular weight of 362.82 g/mol. Its IUPAC name is [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(6-chloropyridazin-3-yl)-methylamino]acetate.

Molecular Properties

Compound Name[2-oxo-2-(1-phenylethylamino)ethyl] 2-[(6-chloropyridazin-3-yl)-methylamino]acetate
PubChem CID55649058
Molecular FormulaC17H19ClN4O3
Molecular Weight362.82 g/mol
Exact Mass362.11
IUPAC Name[2-oxo-2-(1-phenylethylamino)ethyl] 2-[(6-chloropyridazin-3-yl)-methylamino]acetate
SMILESCC(NC(=O)COC(=O)CN(C)c1ccc(Cl)nn1)c1ccccc1
InChIInChI=1S/C17H19ClN4O3/c1-12(13-6-4-3-5-7-13)19-16(23)11-25-17(24)10-22(2)15-9-8-14(18)20-21-15/h3-9,12H,10-11H2,1-2H3,(H,19,23)
InChIKeyZDHUIJYGRGKLKC-UHFFFAOYSA-N
XLogP1.99
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.82
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(6-chloropyridazin-3-yl)-methylamino]acetate 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

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(4-chlorophenyl)acetate
CID 2390853
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3-phenoxypropanoate
CID 9139913
[2-oxo-2-(1-phenylethylamino)ethyl] 2-(4-chlorophenyl)sulfanylacetate
CID 55321562
[2-oxo-2-(1-phenylethylamino)ethyl] 2-cyclopentylacetate
CID 3968744
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2,6-dimethylphenoxy)acetate
CID 8528054
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 4-(4-chlorophenyl)-4-oxobutanoate
CID 2364494
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-(2-fluorophenoxy)acetate
CID 7842381
[2-oxo-2-(1-phenylethylamino)ethyl] 3-[(2-chlorobenzoyl)amino]-3-phenylpropanoate
CID 55306218
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-benzamidoacetate
CID 2367537
[2-oxo-2-(1-phenylethylamino)ethyl] 3-phenylsulfanylpropanoate
CID 16531163
2-methoxy-N-[(1S)-1-phenylethyl]acetamide
CID 835320

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(6-chloropyridazin-3-yl)-methylamino]acetate?
The IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(6-chloropyridazin-3-yl)-methylamino]acetate (CID 55649058) is [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(6-chloropyridazin-3-yl)-methylamino]acetate.
What is the SMILES notation for [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(6-chloropyridazin-3-yl)-methylamino]acetate?
The canonical SMILES for [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(6-chloropyridazin-3-yl)-methylamino]acetate is CC(NC(=O)COC(=O)CN(C)c1ccc(Cl)nn1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(6-chloropyridazin-3-yl)-methylamino]acetate?
The InChIKey is ZDHUIJYGRGKLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O3/c1-12(13-6-4-3-5-7-13)19-16(23)11-25-17(24)10-22(2)15-9-8-14(18)20-21-15/h3-9,12H,10-11H2,1-2H3,(H,19,23).
What are the key properties of [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(6-chloropyridazin-3-yl)-methylamino]acetate?
[2-oxo-2-(1-phenylethylamino)ethyl] 2-[(6-chloropyridazin-3-yl)-methylamino]acetate has a molecular weight of 362.82 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1-phenylethylamino)ethyl] 2-[(6-chloropyridazin-3-yl)-methylamino]acetate is sourced from PubChem (CID 55649058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).