2-(4-ethoxyphenoxy)-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]acetamide

C23H27N3O3 — CID 97029787

IUPAC2-(4-ethoxyphenoxy)-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]acetamide
SMILESCCOc1ccc(OCC(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H27N3O3/c1-4-28-21-10-12-22(13-11-21)29-16-23(27)24-17(2)14-20-15-18(3)25-26(20)19-8-6-5-7-9-19/h5-13,15,17H,4,14,16H2,1-3H3,(H,24,27)/t17-/m1/s1
InChIKeyHQHVLBVUYSNDGZ-QGZVFWFLSA-N
MW393.49 g/mol
LogP3.71
Rot. Bonds9

About 2-(4-ethoxyphenoxy)-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]acetamide

2-(4-ethoxyphenoxy)-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]acetamide (PubChem CID 97029787) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(4-ethoxyphenoxy)-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenoxy)-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]acetamide
PubChem CID97029787
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC Name2-(4-ethoxyphenoxy)-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]acetamide
SMILESCCOc1ccc(OCC(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)cc1
InChIInChI=1S/C23H27N3O3/c1-4-28-21-10-12-22(13-11-21)29-16-23(27)24-17(2)14-20-15-18(3)25-26(20)19-8-6-5-7-9-19/h5-13,15,17H,4,14,16H2,1-3H3,(H,24,27)/t17-/m1/s1
InChIKeyHQHVLBVUYSNDGZ-QGZVFWFLSA-N
XLogP3.71
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[2-[[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]amino]-2-oxoethyl]benzamide
CID 97101178
4-methyl-N-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 166254341
N-(4-ethoxyphenyl)-5-methyl-2-phenylpyrazole-3-carboxamide
CID 110685989
(2S)-2-[[2-(4-ethoxyphenoxy)acetyl]amino]-3-phenylpropanoic acid
CID 95066415
N-[(2R)-butan-2-yl]-2-(4-phenoxyphenoxy)acetamide
CID 7611072
tert-butyl N-[4-[1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-ylcarbamoylamino]-1,2,3,4-tetrahydronaphthalen-1-yl]carbamate
CID 166398238
N-(4-bromobutan-2-yl)-2-phenoxyacetamide
CID 83180352
N-(1-hydroxypropan-2-yl)-2-phenoxyacetamide
CID 43418917
[2-(4-ethoxyphenyl)-2-oxoethyl] (2S)-2-[(2-phenoxyacetyl)amino]propanoate
CID 8842869
2-(3,5-difluorophenoxy)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 53384949
N-(1-aminopropan-2-yl)-2-phenoxyacetamide
CID 63732380
N-[1-(furan-3-yl)propan-2-yl]-2-phenoxyacetamide
CID 121126979

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenoxy)-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]acetamide?
The IUPAC name of 2-(4-ethoxyphenoxy)-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]acetamide (CID 97029787) is 2-(4-ethoxyphenoxy)-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenoxy)-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenoxy)-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]acetamide is CCOc1ccc(OCC(=O)N[C@H](C)Cc2cc(C)nn2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenoxy)-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]acetamide?
The InChIKey is HQHVLBVUYSNDGZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-4-28-21-10-12-22(13-11-21)29-16-23(27)24-17(2)14-20-15-18(3)25-26(20)19-8-6-5-7-9-19/h5-13,15,17H,4,14,16H2,1-3H3,(H,24,27)/t17-/m1/s1.
What are the key properties of 2-(4-ethoxyphenoxy)-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]acetamide?
2-(4-ethoxyphenoxy)-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 3.71, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenoxy)-N-[(2R)-1-(5-methyl-2-phenylpyrazol-3-yl)propan-2-yl]acetamide is sourced from PubChem (CID 97029787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).