4-ethoxy-N-[2-[[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]amino]-2-oxoethyl]benzamide

C24H28N4O3 — CID 97101178

IUPAC4-ethoxy-N-[2-[[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]amino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)cc1
InChIInChI=1S/C24H28N4O3/c1-4-31-22-12-10-19(11-13-22)24(30)25-16-23(29)26-17(2)14-21-15-18(3)27-28(21)20-8-6-5-7-9-20/h5-13,15,17H,4,14,16H2,1-3H3,(H,25,30)(H,26,29)/t17-/m1/s1
InChIKeyRUTDFVGWTPOFJY-QGZVFWFLSA-N
MW420.51 g/mol
LogP3.06
Rot. Bonds9

About 4-ethoxy-N-[2-[[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]amino]-2-oxoethyl]benzamide

4-ethoxy-N-[2-[[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]amino]-2-oxoethyl]benzamide (PubChem CID 97101178) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]amino]-2-oxoethyl]benzamide
PubChem CID97101178
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name4-ethoxy-N-[2-[[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]amino]-2-oxoethyl]benzamide
SMILESCCOc1ccc(C(=O)NCC(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)cc1
InChIInChI=1S/C24H28N4O3/c1-4-31-22-12-10-19(11-13-22)24(30)25-16-23(29)26-17(2)14-21-15-18(3)27-28(21)20-8-6-5-7-9-20/h5-13,15,17H,4,14,16H2,1-3H3,(H,25,30)(H,26,29)/t17-/m1/s1
InChIKeyRUTDFVGWTPOFJY-QGZVFWFLSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethoxyphenoxy)-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]acetamide
CID 97029787
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CID 47022209
2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]propanoic acid
CID 120523615
4-ethoxy-N-[2-(heptan-2-ylamino)-2-oxoethyl]benzamide
CID 46603352
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CID 166254341
N-(4-ethoxyphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685989
4-ethoxy-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47038574
4-butoxy-N-[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl]benzamide
CID 24677699
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-4-ethoxybenzamide
CID 7676792
4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 17349908
4-ethoxy-N-[2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2-oxoethyl]benzamide
CID 46678584
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884920

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-ethoxy-N-[2-[[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]amino]-2-oxoethyl]benzamide (CID 97101178) is 4-ethoxy-N-[2-[[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[2-[[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-ethoxy-N-[2-[[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]amino]-2-oxoethyl]benzamide is CCOc1ccc(C(=O)NCC(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)cc1.
What is the InChIKey of 4-ethoxy-N-[2-[[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]amino]-2-oxoethyl]benzamide?
The InChIKey is RUTDFVGWTPOFJY-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-4-31-22-12-10-19(11-13-22)24(30)25-16-23(29)26-17(2)14-21-15-18(3)27-28(21)20-8-6-5-7-9-20/h5-13,15,17H,4,14,16H2,1-3H3,(H,25,30)(H,26,29)/t17-/m1/s1.
What are the key properties of 4-ethoxy-N-[2-[[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]amino]-2-oxoethyl]benzamide?
4-ethoxy-N-[2-[[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]amino]-2-oxoethyl]benzamide has a molecular weight of 420.51 g/mol, XLogP of 3.06, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 97101178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).