methyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]phthalazine-1-carboxylate

C20H19N3O4 — CID 6407560

IUPACmethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]phthalazine-1-carboxylate
SMILESCOC(=O)c1nnc(OCC(=O)N[C@@H](C)c2ccccc2)c2ccccc12
InChIInChI=1S/C20H19N3O4/c1-13(14-8-4-3-5-9-14)21-17(24)12-27-19-16-11-7-6-10-15(16)18(22-23-19)20(25)26-2/h3-11,13H,12H2,1-2H3,(H,21,24)/t13-/m0/s1
InChIKeyRQMIFJRHIYVZPL-ZDUSSCGKSA-N
MW365.39 g/mol
LogP2.67
Rot. Bonds6

About methyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]phthalazine-1-carboxylate

methyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]phthalazine-1-carboxylate (PubChem CID 6407560) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is methyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]phthalazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]phthalazine-1-carboxylate
PubChem CID6407560
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Namemethyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]phthalazine-1-carboxylate
SMILESCOC(=O)c1nnc(OCC(=O)N[C@@H](C)c2ccccc2)c2ccccc12
InChIInChI=1S/C20H19N3O4/c1-13(14-8-4-3-5-9-14)21-17(24)12-27-19-16-11-7-6-10-15(16)18(22-23-19)20(25)26-2/h3-11,13H,12H2,1-2H3,(H,21,24)/t13-/m0/s1
InChIKeyRQMIFJRHIYVZPL-ZDUSSCGKSA-N
XLogP2.67
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]phthalazine-1-carboxylate with MolForge

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Related Compounds

N-[(1R)-1-phenylethyl]-2-quinazolin-4-yloxyacetamide
CID 2392998
2-methoxy-N-[(1S)-1-phenylethyl]acetamide
CID 835320
2-naphthalen-1-yloxy-N-(1-phenylethyl)acetamide
CID 4513591
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
2-(2-chlorophenoxy)-N-(1-phenylethyl)acetamide
CID 2787215
2-(2,6-dimethoxy-4-methylphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 7695512
2-(2-ethoxyphenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 731794
2-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethoxy]benzamide
CID 8866061
2-(3-methoxyphenoxy)-N-(1-phenylethyl)acetamide
CID 19204047
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 2484985
2-(4-bromophenoxy)-N-[(1S)-1-phenylethyl]acetamide
CID 879347

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]phthalazine-1-carboxylate?
The IUPAC name of methyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]phthalazine-1-carboxylate (CID 6407560) is methyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]phthalazine-1-carboxylate.
What is the SMILES notation for methyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]phthalazine-1-carboxylate?
The canonical SMILES for methyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]phthalazine-1-carboxylate is COC(=O)c1nnc(OCC(=O)N[C@@H](C)c2ccccc2)c2ccccc12.
What is the InChIKey of methyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]phthalazine-1-carboxylate?
The InChIKey is RQMIFJRHIYVZPL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13(14-8-4-3-5-9-14)21-17(24)12-27-19-16-11-7-6-10-15(16)18(22-23-19)20(25)26-2/h3-11,13H,12H2,1-2H3,(H,21,24)/t13-/m0/s1.
What are the key properties of methyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]phthalazine-1-carboxylate?
methyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]phthalazine-1-carboxylate has a molecular weight of 365.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethoxy]phthalazine-1-carboxylate is sourced from PubChem (CID 6407560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).