N',N'-bis(2-methoxyethyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide

C17H22N4O5 — CID 43996590

IUPACN',N'-bis(2-methoxyethyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide
SMILESCOCCN(CCOC)C(=O)C(=O)NCc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C17H22N4O5/c1-25-9-7-21(8-10-26-2)17(24)16(23)18-11-14-12-5-3-4-6-13(12)15(22)20-19-14/h3-6H,7-11H2,1-2H3,(H,18,23)(H,20,22)
InChIKeyBQXGWEWNSURLJG-UHFFFAOYSA-N
MW362.39 g/mol
LogP-0.34
Rot. Bonds8

About N',N'-bis(2-methoxyethyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide

N',N'-bis(2-methoxyethyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide (PubChem CID 43996590) has the molecular formula C17H22N4O5 and a molecular weight of 362.39 g/mol. Its IUPAC name is N',N'-bis(2-methoxyethyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide.

Molecular Properties

Compound NameN',N'-bis(2-methoxyethyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide
PubChem CID43996590
Molecular FormulaC17H22N4O5
Molecular Weight362.39 g/mol
Exact Mass362.16
IUPAC NameN',N'-bis(2-methoxyethyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide
SMILESCOCCN(CCOC)C(=O)C(=O)NCc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C17H22N4O5/c1-25-9-7-21(8-10-26-2)17(24)16(23)18-11-14-12-5-3-4-6-13(12)15(22)20-19-14/h3-6H,7-11H2,1-2H3,(H,18,23)(H,20,22)
InChIKeyBQXGWEWNSURLJG-UHFFFAOYSA-N
XLogP-0.34
TPSA113.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,2-dimethoxyethyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide
CID 27440534
2-(2-methoxyphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734356
ethyl 2-[[2-oxo-2-[(4-oxo-3H-phthalazin-1-yl)methylamino]acetyl]amino]acetate
CID 43996615
N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-4-ylmethyl)oxamide
CID 18567098
2-(2-methylphenyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]acetamide
CID 110734350
N-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 32953564
3,5-dimethyl-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 7185876
2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]benzamide
CID 7185897
(2R)-2-chloro-N-[(4-oxo-3H-phthalazin-1-yl)methyl]propanamide
CID 7626374
N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(thiophen-2-ylmethyl)oxamide
CID 18567084
N'-[(4-oxo-3H-phthalazin-1-yl)methyl]-N-(pyridin-3-ylmethyl)oxamide
CID 27568019
N'-[5-(diethylamino)pentan-2-yl]-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide
CID 43996617

Frequently Asked Questions

What is the IUPAC name of N',N'-bis(2-methoxyethyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide?
The IUPAC name of N',N'-bis(2-methoxyethyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide (CID 43996590) is N',N'-bis(2-methoxyethyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide.
What is the SMILES notation for N',N'-bis(2-methoxyethyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide?
The canonical SMILES for N',N'-bis(2-methoxyethyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide is COCCN(CCOC)C(=O)C(=O)NCc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N',N'-bis(2-methoxyethyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide?
The InChIKey is BQXGWEWNSURLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O5/c1-25-9-7-21(8-10-26-2)17(24)16(23)18-11-14-12-5-3-4-6-13(12)15(22)20-19-14/h3-6H,7-11H2,1-2H3,(H,18,23)(H,20,22).
What are the key properties of N',N'-bis(2-methoxyethyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide?
N',N'-bis(2-methoxyethyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide has a molecular weight of 362.39 g/mol, XLogP of -0.34, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-bis(2-methoxyethyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide is sourced from PubChem (CID 43996590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).