N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

C24H28N4O2 — CID 39948127

IUPACN-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C24H28N4O2/c1-4-27(5-2)23(29)18-26(3)24(30)22-10-7-6-9-21(22)20-13-11-19(12-14-20)17-28-16-8-15-25-28/h6-16H,4-5,17-18H2,1-3H3
InChIKeyUBXRCTKXCHUVGC-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.54
Rot. Bonds8

About N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide

N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (PubChem CID 39948127) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
PubChem CID39948127
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
SMILESCCN(CC)C(=O)CN(C)C(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C24H28N4O2/c1-4-27(5-2)23(29)18-26(3)24(30)22-10-7-6-9-21(22)20-13-11-19(12-14-20)17-28-16-8-15-25-28/h6-16H,4-5,17-18H2,1-3H3
InChIKeyUBXRCTKXCHUVGC-UHFFFAOYSA-N
XLogP3.54
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The IUPAC name of N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide (CID 39948127) is N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is CCN(CC)C(=O)CN(C)C(=O)c1ccccc1-c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
The InChIKey is UBXRCTKXCHUVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-4-27(5-2)23(29)18-26(3)24(30)22-10-7-6-9-21(22)20-13-11-19(12-14-20)17-28-16-8-15-25-28/h6-16H,4-5,17-18H2,1-3H3.
What are the key properties of N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide?
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide has a molecular weight of 404.51 g/mol, XLogP of 3.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-oxoethyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 39948127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).