3-(2,2-dimethylpropanoylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

C23H26N4O2 — CID 35855226

IUPAC3-(2,2-dimethylpropanoylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)NCc2ccccc2Cn2cccn2)c1
InChIInChI=1S/C23H26N4O2/c1-23(2,3)22(29)26-20-11-6-10-17(14-20)21(28)24-15-18-8-4-5-9-19(18)16-27-13-7-12-25-27/h4-14H,15-16H2,1-3H3,(H,24,28)(H,26,29)
InChIKeyMKQDYQLBCIYQPZ-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.85
Rot. Bonds6

About 3-(2,2-dimethylpropanoylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide

3-(2,2-dimethylpropanoylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (PubChem CID 35855226) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
PubChem CID35855226
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
SMILESCC(C)(C)C(=O)Nc1cccc(C(=O)NCc2ccccc2Cn2cccn2)c1
InChIInChI=1S/C23H26N4O2/c1-23(2,3)22(29)26-20-11-6-10-17(14-20)21(28)24-15-18-8-4-5-9-19(18)16-27-13-7-12-25-27/h4-14H,15-16H2,1-3H3,(H,24,28)(H,26,29)
InChIKeyMKQDYQLBCIYQPZ-UHFFFAOYSA-N
XLogP3.85
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 25497310
4-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 17483548
3-(2-methylpropoxy)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 35955984
N-(2,6-diethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 35339689
N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,3-benzothiazole-6-carboxamide
CID 17491209
N-tert-butyl-3-[[[ethylamino-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]methylidene]amino]methyl]benzamide
CID 111851246
5-methyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 51277216
3-(2,2-dimethylpropanoylamino)-N-prop-2-enylbenzamide
CID 134057626
3-[[[2-(pyrazol-1-ylmethyl)benzoyl]amino]methyl]benzoic acid
CID 75445007
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 51102569
3,4-diethoxy-N-[2-oxo-2-[[2-(pyrazol-1-ylmethyl)phenyl]methylamino]ethyl]benzamide
CID 35955494
1-[3-(difluoromethoxy)phenyl]-3-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 55738450

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide (CID 35855226) is 3-(2,2-dimethylpropanoylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is CC(C)(C)C(=O)Nc1cccc(C(=O)NCc2ccccc2Cn2cccn2)c1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
The InChIKey is MKQDYQLBCIYQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-23(2,3)22(29)26-20-11-6-10-17(14-20)21(28)24-15-18-8-4-5-9-19(18)16-27-13-7-12-25-27/h4-14H,15-16H2,1-3H3,(H,24,28)(H,26,29).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide?
3-(2,2-dimethylpropanoylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide has a molecular weight of 390.49 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 35855226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).