N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide

C15H18N4O4 — CID 18110420

IUPACN-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCOCCNC(=O)CNC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C15H18N4O4/c1-19-15(22)11-6-4-3-5-10(11)13(18-19)14(21)17-9-12(20)16-7-8-23-2/h3-6H,7-9H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyQCWRYQOOMNXINV-UHFFFAOYSA-N
MW318.33 g/mol
LogP-0.57
Rot. Bonds6

About N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide

N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide (PubChem CID 18110420) has the molecular formula C15H18N4O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide
PubChem CID18110420
Molecular FormulaC15H18N4O4
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC NameN-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide
SMILESCOCCNC(=O)CNC(=O)c1nn(C)c(=O)c2ccccc12
InChIInChI=1S/C15H18N4O4/c1-19-15(22)11-6-4-3-5-10(11)13(18-19)14(21)17-9-12(20)16-7-8-23-2/h3-6H,7-9H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyQCWRYQOOMNXINV-UHFFFAOYSA-N
XLogP-0.57
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methyl-4-oxo-N-[2-oxo-2-(propylamino)ethyl]phthalazine-1-carboxamide
CID 9163172
N-(2-methoxyethyl)-2-[4-(3-methyl-4-oxophthalazine-1-carbonyl)piperazin-1-yl]acetamide
CID 8541570
N-[2-(4-methoxyphenyl)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 71709074
N-[2-(2-methoxyphenyl)ethyl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 31526897
3-methyl-4-oxo-N-prop-2-enylphthalazine-1-carboxamide
CID 2449801
[2-(2-methoxyethylamino)-2-oxoethyl] 4-oxo-3-phenylphthalazine-1-carboxylate
CID 2588323
3-methyl-4-oxo-N-(2-phenylpropyl)phthalazine-1-carboxamide
CID 17400170
3-methyl-4-oxo-N-[3-[(1S)-1-phenylethoxy]propyl]phthalazine-1-carboxamide
CID 33235152
3-methyl-4-oxo-N'-(2-phenylacetyl)phthalazine-1-carbohydrazide
CID 7750621
methyl (2S)-3-hydroxy-2-[(3-methyl-4-oxophthalazine-1-carbonyl)amino]propanoate
CID 9277699
[2-(2-methoxyethylamino)-2-oxoethyl] 3-butyl-4-oxophthalazine-1-carboxylate
CID 7167911
N-(3-methoxypropyl)-1-methylindazole-3-carboxamide
CID 166081516

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide (CID 18110420) is N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide is COCCNC(=O)CNC(=O)c1nn(C)c(=O)c2ccccc12.
What is the InChIKey of N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide?
The InChIKey is QCWRYQOOMNXINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4/c1-19-15(22)11-6-4-3-5-10(11)13(18-19)14(21)17-9-12(20)16-7-8-23-2/h3-6H,7-9H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide?
N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide has a molecular weight of 318.33 g/mol, XLogP of -0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methyl-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 18110420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).