3-benzyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]phthalazine-1-carboxamide

C22H23N3O3 — CID 42950890

IUPAC3-benzyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]phthalazine-1-carboxamide
SMILESCC(NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)C1CCCO1
InChIInChI=1S/C22H23N3O3/c1-15(19-12-7-13-28-19)23-21(26)20-17-10-5-6-11-18(17)22(27)25(24-20)14-16-8-3-2-4-9-16/h2-6,8-11,15,19H,7,12-14H2,1H3,(H,23,26)
InChIKeyMULUXFAMTLMVLQ-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.74
Rot. Bonds5

About 3-benzyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]phthalazine-1-carboxamide

3-benzyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]phthalazine-1-carboxamide (PubChem CID 42950890) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-benzyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]phthalazine-1-carboxamide.

Molecular Properties

Compound Name3-benzyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]phthalazine-1-carboxamide
PubChem CID42950890
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-benzyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]phthalazine-1-carboxamide
SMILESCC(NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)C1CCCO1
InChIInChI=1S/C22H23N3O3/c1-15(19-12-7-13-28-19)23-21(26)20-17-10-5-6-11-18(17)22(27)25(24-20)14-16-8-3-2-4-9-16/h2-6,8-11,15,19H,7,12-14H2,1H3,(H,23,26)
InChIKeyMULUXFAMTLMVLQ-UHFFFAOYSA-N
XLogP2.74
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-benzyl-N-cyclohexyl-4-oxophthalazine-1-carboxamide
CID 4811377
3-benzyl-N-(cyclopentylmethyl)-4-oxophthalazine-1-carboxamide
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3-benzyl-4-oxo-N-[3-(propan-2-ylcarbamoyl)cyclohexyl]phthalazine-1-carboxamide
CID 86960960
5-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-2-phenyltriazole-4-carboxamide
CID 35243595
N-[1-[2-(3-benzyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxopropan-2-yl]acetamide
CID 24636769
1-benzyl-3-(4-chlorophenyl)-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide
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CID 167831678
3-benzyl-N-(2,3-dimethylcyclohexyl)-4-oxophthalazine-1-carboxamide
CID 46539807
2-(3-methyl-4-oxophthalazin-1-yl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 35234780
3-benzyl-4-oxo-N-(2-pyrrolidin-1-ylbutyl)phthalazine-1-carboxamide
CID 43064928

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]phthalazine-1-carboxamide?
The IUPAC name of 3-benzyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]phthalazine-1-carboxamide (CID 42950890) is 3-benzyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]phthalazine-1-carboxamide.
What is the SMILES notation for 3-benzyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]phthalazine-1-carboxamide?
The canonical SMILES for 3-benzyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]phthalazine-1-carboxamide is CC(NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)C1CCCO1.
What is the InChIKey of 3-benzyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]phthalazine-1-carboxamide?
The InChIKey is MULUXFAMTLMVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15(19-12-7-13-28-19)23-21(26)20-17-10-5-6-11-18(17)22(27)25(24-20)14-16-8-3-2-4-9-16/h2-6,8-11,15,19H,7,12-14H2,1H3,(H,23,26).
What are the key properties of 3-benzyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]phthalazine-1-carboxamide?
3-benzyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]phthalazine-1-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-4-oxo-N-[1-(oxolan-2-yl)ethyl]phthalazine-1-carboxamide is sourced from PubChem (CID 42950890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).