2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]butan-2-yl]benzamide

C24H27N5O4 — CID 41272254

IUPAC2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]butan-2-yl]benzamide
SMILESCCOc1ccccc1C(=O)N[C@H](C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1)C(C)C
InChIInChI=1S/C24H27N5O4/c1-4-33-20-13-9-8-12-17(20)22(30)25-21(15(2)3)24(32)29-28-23(31)19-14-18(26-27-19)16-10-6-5-7-11-16/h5-15,21H,4H2,1-3H3,(H,25,30)(H,26,27)(H,28,31)(H,29,32)/t21-/m0/s1
InChIKeyFEXPCWLQCFSRET-NRFANRHFSA-N
MW449.51 g/mol
LogP2.69
Rot. Bonds8

About 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]butan-2-yl]benzamide

2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]butan-2-yl]benzamide (PubChem CID 41272254) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]butan-2-yl]benzamide.

Molecular Properties

Compound Name2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]butan-2-yl]benzamide
PubChem CID41272254
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]butan-2-yl]benzamide
SMILESCCOc1ccccc1C(=O)N[C@H](C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1)C(C)C
InChIInChI=1S/C24H27N5O4/c1-4-33-20-13-9-8-12-17(20)22(30)25-21(15(2)3)24(32)29-28-23(31)19-14-18(26-27-19)16-10-6-5-7-11-16/h5-15,21H,4H2,1-3H3,(H,25,30)(H,26,27)(H,28,31)(H,29,32)/t21-/m0/s1
InChIKeyFEXPCWLQCFSRET-NRFANRHFSA-N
XLogP2.69
TPSA125.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethoxy-N-[(2S)-3-methyl-1-[2-(4-methylbenzoyl)hydrazinyl]-1-oxobutan-2-yl]benzamide
CID 2712984
N-[(2S)-1-[2-[2-(3,5-dimethylpyrazol-1-yl)acetyl]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 7613435
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 9295659
2-ethoxy-N-[(2S)-1-[[2-(ethylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 9224516
2-ethoxy-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
CID 2599057
2-ethoxy-N-[(2S)-1-[2-(4-fluorophenyl)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 2712700
3-phenyl-N'-propanoyl-1H-pyrazole-5-carbohydrazide
CID 2677236
(2S,3S)-3-methyl-2-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]pentanoic acid
CID 119194391
N-[1-[(4-chlorophenyl)methylamino]-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 4796988
(2-amino-2-oxoethyl) (2S)-2-[(2-ethoxybenzoyl)amino]-3-methylbutanoate
CID 7568691
2-ethoxy-N-[1-[[2-(4-fluorophenyl)-2-hydroxyethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 86980944
N-[(2S)-1-(4-chloroanilino)-3-methyl-1-oxobutan-2-yl]-2-ethoxybenzamide
CID 2666159

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]butan-2-yl]benzamide?
The IUPAC name of 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]butan-2-yl]benzamide (CID 41272254) is 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]butan-2-yl]benzamide.
What is the SMILES notation for 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]butan-2-yl]benzamide?
The canonical SMILES for 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]butan-2-yl]benzamide is CCOc1ccccc1C(=O)N[C@H](C(=O)NNC(=O)c1cc(-c2ccccc2)n[nH]1)C(C)C.
What is the InChIKey of 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]butan-2-yl]benzamide?
The InChIKey is FEXPCWLQCFSRET-NRFANRHFSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-4-33-20-13-9-8-12-17(20)22(30)25-21(15(2)3)24(32)29-28-23(31)19-14-18(26-27-19)16-10-6-5-7-11-16/h5-15,21H,4H2,1-3H3,(H,25,30)(H,26,27)(H,28,31)(H,29,32)/t21-/m0/s1.
What are the key properties of 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]butan-2-yl]benzamide?
2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]butan-2-yl]benzamide has a molecular weight of 449.51 g/mol, XLogP of 2.69, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(2S)-3-methyl-1-oxo-1-[2-(3-phenyl-1H-pyrazole-5-carbonyl)hydrazinyl]butan-2-yl]benzamide is sourced from PubChem (CID 41272254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).