N,N-diethyl-4-[(4-methylphthalazin-1-yl)amino]benzamide

C20H22N4O — CID 621805

IUPACN,N-diethyl-4-[(4-methylphthalazin-1-yl)amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(Nc2nnc(C)c3ccccc23)cc1
InChIInChI=1S/C20H22N4O/c1-4-24(5-2)20(25)15-10-12-16(13-11-15)21-19-18-9-7-6-8-17(18)14(3)22-23-19/h6-13H,4-5H2,1-3H3,(H,21,23)
InChIKeyUJCHLWQIQBYYAO-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.16
Rot. Bonds5

About N,N-diethyl-4-[(4-methylphthalazin-1-yl)amino]benzamide

N,N-diethyl-4-[(4-methylphthalazin-1-yl)amino]benzamide (PubChem CID 621805) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N,N-diethyl-4-[(4-methylphthalazin-1-yl)amino]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(4-methylphthalazin-1-yl)amino]benzamide
PubChem CID621805
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN,N-diethyl-4-[(4-methylphthalazin-1-yl)amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(Nc2nnc(C)c3ccccc23)cc1
InChIInChI=1S/C20H22N4O/c1-4-24(5-2)20(25)15-10-12-16(13-11-15)21-19-18-9-7-6-8-17(18)14(3)22-23-19/h6-13H,4-5H2,1-3H3,(H,21,23)
InChIKeyUJCHLWQIQBYYAO-UHFFFAOYSA-N
XLogP4.16
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(4-methylphthalazin-1-yl)amino]benzamide?
The IUPAC name of N,N-diethyl-4-[(4-methylphthalazin-1-yl)amino]benzamide (CID 621805) is N,N-diethyl-4-[(4-methylphthalazin-1-yl)amino]benzamide.
What is the SMILES notation for N,N-diethyl-4-[(4-methylphthalazin-1-yl)amino]benzamide?
The canonical SMILES for N,N-diethyl-4-[(4-methylphthalazin-1-yl)amino]benzamide is CCN(CC)C(=O)c1ccc(Nc2nnc(C)c3ccccc23)cc1.
What is the InChIKey of N,N-diethyl-4-[(4-methylphthalazin-1-yl)amino]benzamide?
The InChIKey is UJCHLWQIQBYYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-4-24(5-2)20(25)15-10-12-16(13-11-15)21-19-18-9-7-6-8-17(18)14(3)22-23-19/h6-13H,4-5H2,1-3H3,(H,21,23).
What are the key properties of N,N-diethyl-4-[(4-methylphthalazin-1-yl)amino]benzamide?
N,N-diethyl-4-[(4-methylphthalazin-1-yl)amino]benzamide has a molecular weight of 334.42 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(4-methylphthalazin-1-yl)amino]benzamide is sourced from PubChem (CID 621805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).