N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-2-(3-methylphenoxy)acetamide

C28H28N4O4 — CID 2946286

IUPACN-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-2-(3-methylphenoxy)acetamide
SMILESCOc1nnc(-c2ccc(N3CCOCC3)c(NC(=O)COc3cccc(C)c3)c2)c2ccccc12
InChIInChI=1S/C28H28N4O4/c1-19-6-5-7-21(16-19)36-18-26(33)29-24-17-20(10-11-25(24)32-12-14-35-15-13-32)27-22-8-3-4-9-23(22)28(34-2)31-30-27/h3-11,16-17H,12-15,18H2,1-2H3,(H,29,33)
InChIKeyWCCZDIANBCYGJT-UHFFFAOYSA-N
MW484.56 g/mol
LogP4.47
Rot. Bonds7

About N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-2-(3-methylphenoxy)acetamide

N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-2-(3-methylphenoxy)acetamide (PubChem CID 2946286) has the molecular formula C28H28N4O4 and a molecular weight of 484.56 g/mol. Its IUPAC name is N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-2-(3-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-2-(3-methylphenoxy)acetamide
PubChem CID2946286
Molecular FormulaC28H28N4O4
Molecular Weight484.56 g/mol
Exact Mass484.21
IUPAC NameN-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-2-(3-methylphenoxy)acetamide
SMILESCOc1nnc(-c2ccc(N3CCOCC3)c(NC(=O)COc3cccc(C)c3)c2)c2ccccc12
InChIInChI=1S/C28H28N4O4/c1-19-6-5-7-21(16-19)36-18-26(33)29-24-17-20(10-11-25(24)32-12-14-35-15-13-32)27-22-8-3-4-9-23(22)28(34-2)31-30-27/h3-11,16-17H,12-15,18H2,1-2H3,(H,29,33)
InChIKeyWCCZDIANBCYGJT-UHFFFAOYSA-N
XLogP4.47
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.56
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]thiophene-2-carboxamide
CID 2946303
N-(5-methoxy-2-morpholin-4-ylphenyl)-2-phenoxyacetamide
CID 6471849
2-(3-methylphenoxy)-N-(6-morpholin-4-ylpyrimidin-4-yl)acetamide
CID 90544202
3-[[2-(3-methylphenoxy)acetyl]amino]-4-piperidin-1-ylbenzamide
CID 75413856
2-(4-methylphenoxy)-N-(5-morpholin-4-yl-2-pyrrolidin-1-ylphenyl)acetamide
CID 110400419
N-(5-chloro-2-morpholin-4-ylphenyl)-2-(4-methoxyphenoxy)acetamide
CID 1094305
N-(2-morpholin-4-yl-5-morpholin-4-ylsulfonylphenyl)-2-phenoxyacetamide
CID 16552445
2-(4-methylphenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 2161692
N-[5-chloro-2-(4-methylpiperazin-4-ium-1-yl)phenyl]-2-(3-methylphenoxy)acetamide
CID 7551877
3-(3-methylphenoxy)-N-(2-morpholin-4-yl-5-piperidin-1-ylsulfonylphenyl)propanamide
CID 4968881
2-(3-fluorophenoxy)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
CID 7551397
2-(3-methylphenoxy)-N-[5-(morpholin-4-ylmethyl)-4-phenyl-1,3-thiazol-2-yl]acetamide
CID 108726929

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-2-(3-methylphenoxy)acetamide?
The IUPAC name of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-2-(3-methylphenoxy)acetamide (CID 2946286) is N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-2-(3-methylphenoxy)acetamide.
What is the SMILES notation for N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-2-(3-methylphenoxy)acetamide?
The canonical SMILES for N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-2-(3-methylphenoxy)acetamide is COc1nnc(-c2ccc(N3CCOCC3)c(NC(=O)COc3cccc(C)c3)c2)c2ccccc12.
What is the InChIKey of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-2-(3-methylphenoxy)acetamide?
The InChIKey is WCCZDIANBCYGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O4/c1-19-6-5-7-21(16-19)36-18-26(33)29-24-17-20(10-11-25(24)32-12-14-35-15-13-32)27-22-8-3-4-9-23(22)28(34-2)31-30-27/h3-11,16-17H,12-15,18H2,1-2H3,(H,29,33).
What are the key properties of N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-2-(3-methylphenoxy)acetamide?
N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-2-(3-methylphenoxy)acetamide has a molecular weight of 484.56 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-methoxyphthalazin-1-yl)-2-morpholin-4-ylphenyl]-2-(3-methylphenoxy)acetamide is sourced from PubChem (CID 2946286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).