2-(3-ethyl-4-oxophthalazin-1-yl)-N-[1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]acetamide

C23H25N7O3 — CID 23607801

IUPAC2-(3-ethyl-4-oxophthalazin-1-yl)-N-[1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]acetamide
SMILESCCC(Cn1nnn(-c2ccccc2)c1=O)NC(=O)Cc1nn(CC)c(=O)c2ccccc12
InChIInChI=1S/C23H25N7O3/c1-3-16(15-29-23(33)30(27-26-29)17-10-6-5-7-11-17)24-21(31)14-20-18-12-8-9-13-19(18)22(32)28(4-2)25-20/h5-13,16H,3-4,14-15H2,1-2H3,(H,24,31)
InChIKeySSCKXWMCXIFLHE-UHFFFAOYSA-N
MW447.50 g/mol
LogP1.30
Rot. Bonds8

About 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]acetamide

2-(3-ethyl-4-oxophthalazin-1-yl)-N-[1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]acetamide (PubChem CID 23607801) has the molecular formula C23H25N7O3 and a molecular weight of 447.50 g/mol. Its IUPAC name is 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(3-ethyl-4-oxophthalazin-1-yl)-N-[1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]acetamide
PubChem CID23607801
Molecular FormulaC23H25N7O3
Molecular Weight447.50 g/mol
Exact Mass447.20
IUPAC Name2-(3-ethyl-4-oxophthalazin-1-yl)-N-[1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]acetamide
SMILESCCC(Cn1nnn(-c2ccccc2)c1=O)NC(=O)Cc1nn(CC)c(=O)c2ccccc12
InChIInChI=1S/C23H25N7O3/c1-3-16(15-29-23(33)30(27-26-29)17-10-6-5-7-11-17)24-21(31)14-20-18-12-8-9-13-19(18)22(32)28(4-2)25-20/h5-13,16H,3-4,14-15H2,1-2H3,(H,24,31)
InChIKeySSCKXWMCXIFLHE-UHFFFAOYSA-N
XLogP1.30
TPSA116.70 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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CID 745849
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CID 1306519
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CID 652384
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CID 2598398
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CID 26700918
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CID 162514666

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]acetamide?
The IUPAC name of 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]acetamide (CID 23607801) is 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]acetamide.
What is the SMILES notation for 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]acetamide?
The canonical SMILES for 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]acetamide is CCC(Cn1nnn(-c2ccccc2)c1=O)NC(=O)Cc1nn(CC)c(=O)c2ccccc12.
What is the InChIKey of 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]acetamide?
The InChIKey is SSCKXWMCXIFLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3/c1-3-16(15-29-23(33)30(27-26-29)17-10-6-5-7-11-17)24-21(31)14-20-18-12-8-9-13-19(18)22(32)28(4-2)25-20/h5-13,16H,3-4,14-15H2,1-2H3,(H,24,31).
What are the key properties of 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]acetamide?
2-(3-ethyl-4-oxophthalazin-1-yl)-N-[1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]acetamide has a molecular weight of 447.50 g/mol, XLogP of 1.30, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-4-oxophthalazin-1-yl)-N-[1-(5-oxo-4-phenyltetrazol-1-yl)butan-2-yl]acetamide is sourced from PubChem (CID 23607801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).