2-methoxy-N-[3-methyl-1-oxo-1-[2-(1-phenylpyrazol-4-yl)ethylamino]butan-2-yl]benzamide

C24H28N4O3 — CID 55505008

IUPAC2-methoxy-N-[3-methyl-1-oxo-1-[2-(1-phenylpyrazol-4-yl)ethylamino]butan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)NC(C(=O)NCCc1cnn(-c2ccccc2)c1)C(C)C
InChIInChI=1S/C24H28N4O3/c1-17(2)22(27-23(29)20-11-7-8-12-21(20)31-3)24(30)25-14-13-18-15-26-28(16-18)19-9-5-4-6-10-19/h4-12,15-17,22H,13-14H2,1-3H3,(H,25,30)(H,27,29)
InChIKeyZNEDYNFKFVSUMC-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.99
Rot. Bonds9

About 2-methoxy-N-[3-methyl-1-oxo-1-[2-(1-phenylpyrazol-4-yl)ethylamino]butan-2-yl]benzamide

2-methoxy-N-[3-methyl-1-oxo-1-[2-(1-phenylpyrazol-4-yl)ethylamino]butan-2-yl]benzamide (PubChem CID 55505008) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-methoxy-N-[3-methyl-1-oxo-1-[2-(1-phenylpyrazol-4-yl)ethylamino]butan-2-yl]benzamide.

Molecular Properties

Compound Name2-methoxy-N-[3-methyl-1-oxo-1-[2-(1-phenylpyrazol-4-yl)ethylamino]butan-2-yl]benzamide
PubChem CID55505008
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-methoxy-N-[3-methyl-1-oxo-1-[2-(1-phenylpyrazol-4-yl)ethylamino]butan-2-yl]benzamide
SMILESCOc1ccccc1C(=O)NC(C(=O)NCCc1cnn(-c2ccccc2)c1)C(C)C
InChIInChI=1S/C24H28N4O3/c1-17(2)22(27-23(29)20-11-7-8-12-21(20)31-3)24(30)25-14-13-18-15-26-28(16-18)19-9-5-4-6-10-19/h4-12,15-17,22H,13-14H2,1-3H3,(H,25,30)(H,27,29)
InChIKeyZNEDYNFKFVSUMC-UHFFFAOYSA-N
XLogP2.99
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-hydroxyethylamino)-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 78799665
2-methyl-3-oxo-3-[2-(1-phenylpyrazol-4-yl)ethylamino]propanoic acid
CID 122065245
4-chloro-N-[3-methyl-1-oxo-1-[(1-phenylpyrazol-4-yl)methylamino]butan-2-yl]benzamide
CID 24609791
2-methoxy-N-[(2S)-3-methyl-1-oxo-1-(2-phenoxyethylamino)butan-2-yl]benzamide
CID 33249575
2,2-diphenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 16606743
N-[1-(2-methoxyphenyl)ethyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 16622310
3-(3,4-dimethoxyphenyl)-1-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 16613798
2-methoxy-N-[3-methyl-1-[3-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide;hydrochloride
CID 119429462
(2R)-2-(carbamoylamino)-3,3-dimethyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 124874597
methyl 2-methoxy-5-[[[2-(1-phenylpyrazol-4-yl)acetyl]amino]methyl]benzoate
CID 51329846
N-[1-[2-(1H-benzimidazol-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]-2-methoxybenzamide
CID 42919415
4-(3,4-dimethoxyphenyl)-1-phenyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 16613867

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-methyl-1-oxo-1-[2-(1-phenylpyrazol-4-yl)ethylamino]butan-2-yl]benzamide?
The IUPAC name of 2-methoxy-N-[3-methyl-1-oxo-1-[2-(1-phenylpyrazol-4-yl)ethylamino]butan-2-yl]benzamide (CID 55505008) is 2-methoxy-N-[3-methyl-1-oxo-1-[2-(1-phenylpyrazol-4-yl)ethylamino]butan-2-yl]benzamide.
What is the SMILES notation for 2-methoxy-N-[3-methyl-1-oxo-1-[2-(1-phenylpyrazol-4-yl)ethylamino]butan-2-yl]benzamide?
The canonical SMILES for 2-methoxy-N-[3-methyl-1-oxo-1-[2-(1-phenylpyrazol-4-yl)ethylamino]butan-2-yl]benzamide is COc1ccccc1C(=O)NC(C(=O)NCCc1cnn(-c2ccccc2)c1)C(C)C.
What is the InChIKey of 2-methoxy-N-[3-methyl-1-oxo-1-[2-(1-phenylpyrazol-4-yl)ethylamino]butan-2-yl]benzamide?
The InChIKey is ZNEDYNFKFVSUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-17(2)22(27-23(29)20-11-7-8-12-21(20)31-3)24(30)25-14-13-18-15-26-28(16-18)19-9-5-4-6-10-19/h4-12,15-17,22H,13-14H2,1-3H3,(H,25,30)(H,27,29).
What are the key properties of 2-methoxy-N-[3-methyl-1-oxo-1-[2-(1-phenylpyrazol-4-yl)ethylamino]butan-2-yl]benzamide?
2-methoxy-N-[3-methyl-1-oxo-1-[2-(1-phenylpyrazol-4-yl)ethylamino]butan-2-yl]benzamide has a molecular weight of 420.51 g/mol, XLogP of 2.99, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-methyl-1-oxo-1-[2-(1-phenylpyrazol-4-yl)ethylamino]butan-2-yl]benzamide is sourced from PubChem (CID 55505008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).