3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylphenyl)butanamide

C22H24N4O2 — CID 55766078

IUPAC3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylphenyl)butanamide
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C22H24N4O2/c1-16(2)21(25-20(27)14-17-8-4-3-5-9-17)22(28)24-18-10-6-11-19(15-18)26-13-7-12-23-26/h3-13,15-16,21H,14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyMKWNTUMKPJKISU-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.19
Rot. Bonds7

About 3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylphenyl)butanamide

3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylphenyl)butanamide (PubChem CID 55766078) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylphenyl)butanamide.

Molecular Properties

Compound Name3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylphenyl)butanamide
PubChem CID55766078
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylphenyl)butanamide
SMILESCC(C)C(NC(=O)Cc1ccccc1)C(=O)Nc1cccc(-n2cccn2)c1
InChIInChI=1S/C22H24N4O2/c1-16(2)21(25-20(27)14-17-8-4-3-5-9-17)22(28)24-18-10-6-11-19(15-18)26-13-7-12-23-26/h3-13,15-16,21H,14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyMKWNTUMKPJKISU-UHFFFAOYSA-N
XLogP3.19
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-methyl-N-(3-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 9038834
N-[3-[[3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]phenyl]pyridine-4-carboxamide
CID 55610497
(2R)-3-methyl-N-(2-methyl-4-pyridinyl)-2-[(2-phenylacetyl)amino]butanamide
CID 96526958
3-methyl-N-(3-methylsulfonylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 55416154
(2S)-N-(3-cyanophenyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 8927212
5-amino-2-methyl-N-(3-pyrazol-1-ylphenyl)pentanamide
CID 104683774
3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356
2-bromo-N-(3-pyrazol-1-ylphenyl)butanamide
CID 62856845
3-methyl-N-(4-methylphenyl)-2-[(2-phenylacetyl)amino]butanamide
CID 71534500
(2S)-3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylpropyl)butanamide
CID 37394573
2-amino-3-methoxy-N-(3-pyrazol-1-ylphenyl)propanamide
CID 81083660
5-oxo-5-(3-pyrazol-1-ylanilino)pentanoic acid
CID 60940474

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylphenyl)butanamide?
The IUPAC name of 3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylphenyl)butanamide (CID 55766078) is 3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylphenyl)butanamide.
What is the SMILES notation for 3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylphenyl)butanamide?
The canonical SMILES for 3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylphenyl)butanamide is CC(C)C(NC(=O)Cc1ccccc1)C(=O)Nc1cccc(-n2cccn2)c1.
What is the InChIKey of 3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylphenyl)butanamide?
The InChIKey is MKWNTUMKPJKISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16(2)21(25-20(27)14-17-8-4-3-5-9-17)22(28)24-18-10-6-11-19(15-18)26-13-7-12-23-26/h3-13,15-16,21H,14H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylphenyl)butanamide?
3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylphenyl)butanamide has a molecular weight of 376.46 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-phenylacetyl)amino]-N-(3-pyrazol-1-ylphenyl)butanamide is sourced from PubChem (CID 55766078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).