N-[3-methyl-1-oxo-1-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]butan-2-yl]acetamide

C19H25N5O4 — CID 42888349

IUPACN-[3-methyl-1-oxo-1-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]butan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12)C(C)C
InChIInChI=1S/C19H25N5O4/c1-10(2)15(20-12(5)25)17(26)21-22-18(27)16-13-8-6-7-9-14(13)19(28)24(23-16)11(3)4/h6-11,15H,1-5H3,(H,20,25)(H,21,26)(H,22,27)
InChIKeyULYUPGRVUBJGGC-UHFFFAOYSA-N
MW387.44 g/mol
LogP0.90
Rot. Bonds5

About N-[3-methyl-1-oxo-1-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]butan-2-yl]acetamide

N-[3-methyl-1-oxo-1-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]butan-2-yl]acetamide (PubChem CID 42888349) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-methyl-1-oxo-1-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]butan-2-yl]acetamide
PubChem CID42888349
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC NameN-[3-methyl-1-oxo-1-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]butan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12)C(C)C
InChIInChI=1S/C19H25N5O4/c1-10(2)15(20-12(5)25)17(26)21-22-18(27)16-13-8-6-7-9-14(13)19(28)24(23-16)11(3)4/h6-11,15H,1-5H3,(H,20,25)(H,21,26)(H,22,27)
InChIKeyULYUPGRVUBJGGC-UHFFFAOYSA-N
XLogP0.90
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2R)-3-methyl-1-[2-(3-methyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-1-oxobutan-2-yl]acetamide
CID 51552973
N-[(2R)-1-[2-(3-ethyl-4-oxophthalazine-1-carbonyl)hydrazinyl]-3-methyl-1-oxobutan-2-yl]acetamide
CID 7479708
N'-[2-(2-methylphenyl)acetyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 27566475
N'-(2,3-dimethylbenzoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 55341302
N'-[4-(methylsulfanylmethyl)benzoyl]-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 35767608
4-oxo-N-phenyl-3-propan-2-ylphthalazine-1-carboxamide
CID 2598592
methyl (2S)-2-[(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)amino]propanoate
CID 87040056
N'-(1-acetyl-4-phenylpiperidine-4-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 55364237
N-(3-methylpentan-2-yl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 86839446
N'-(3-bromo-1H-indole-2-carbonyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 55915072
N'-(5-chloro-2-methoxybenzoyl)-4-oxo-3-propan-2-ylphthalazine-1-carbohydrazide
CID 26874893
N-(3-hydroxy-4-methylpentyl)-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 111461070

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]butan-2-yl]acetamide?
The IUPAC name of N-[3-methyl-1-oxo-1-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]butan-2-yl]acetamide (CID 42888349) is N-[3-methyl-1-oxo-1-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]butan-2-yl]acetamide.
What is the SMILES notation for N-[3-methyl-1-oxo-1-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]butan-2-yl]acetamide?
The canonical SMILES for N-[3-methyl-1-oxo-1-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]butan-2-yl]acetamide is CC(=O)NC(C(=O)NNC(=O)c1nn(C(C)C)c(=O)c2ccccc12)C(C)C.
What is the InChIKey of N-[3-methyl-1-oxo-1-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]butan-2-yl]acetamide?
The InChIKey is ULYUPGRVUBJGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-10(2)15(20-12(5)25)17(26)21-22-18(27)16-13-8-6-7-9-14(13)19(28)24(23-16)11(3)4/h6-11,15H,1-5H3,(H,20,25)(H,21,26)(H,22,27).
What are the key properties of N-[3-methyl-1-oxo-1-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]butan-2-yl]acetamide?
N-[3-methyl-1-oxo-1-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]butan-2-yl]acetamide has a molecular weight of 387.44 g/mol, XLogP of 0.90, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-oxo-1-[2-(4-oxo-3-propan-2-ylphthalazine-1-carbonyl)hydrazinyl]butan-2-yl]acetamide is sourced from PubChem (CID 42888349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).