N-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide

C16H21N3O3 — CID 32953564

IUPACN-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCOCCN(CC(C)C)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H21N3O3/c1-11(2)10-19(8-9-22-3)16(21)14-12-6-4-5-7-13(12)15(20)18-17-14/h4-7,11H,8-10H2,1-3H3,(H,18,20)
InChIKeyATJOFZMBSBJYAN-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.67
Rot. Bonds6

About N-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide

N-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 32953564) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID32953564
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
SMILESCOCCN(CC(C)C)C(=O)c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H21N3O3/c1-11(2)10-19(8-9-22-3)16(21)14-12-6-4-5-7-13(12)15(20)18-17-14/h4-7,11H,8-10H2,1-3H3,(H,18,20)
InChIKeyATJOFZMBSBJYAN-UHFFFAOYSA-N
XLogP1.67
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43420954
N-(2-ethoxyethyl)-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide
CID 63691834
N-butyl-N-ethyl-4-oxo-3H-phthalazine-1-carboxamide
CID 5220186
2-(1,4-dioxo-3H-phthalazin-2-yl)-N-(2-methoxyethyl)-N-(2-methylpropyl)acetamide
CID 32953117
N',N'-bis(2-methoxyethyl)-N-[(4-oxo-3H-phthalazin-1-yl)methyl]oxamide
CID 43996590
N-butan-2-yl-N-methyl-4-oxo-3H-phthalazine-1-carboxamide
CID 43583066
N-(3-hydroxy-4-methoxybutyl)-4-oxo-3H-phthalazine-1-carboxamide
CID 103877423
N-benzyl-N-(2-methoxyethyl)-1H-indazole-3-carboxamide
CID 31236371
N-(5-methylhexan-2-yl)-4-oxo-3H-phthalazine-1-carboxamide
CID 43398156
N-benzyl-4-oxo-N-propyl-3H-phthalazine-1-carboxamide
CID 31739910
N-[(2R)-2-hydroxypropyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 83031398
4-oxo-N-[(2R)-2-phenylpropyl]-3H-phthalazine-1-carboxamide
CID 9070861

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide (CID 32953564) is N-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide is COCCN(CC(C)C)C(=O)c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is ATJOFZMBSBJYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-11(2)10-19(8-9-22-3)16(21)14-12-6-4-5-7-13(12)15(20)18-17-14/h4-7,11H,8-10H2,1-3H3,(H,18,20).
What are the key properties of N-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide?
N-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-(2-methylpropyl)-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 32953564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).