N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(3-propan-2-ylphenoxy)acetamide

C24H29N3O2 — CID 55707299

IUPACN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(3-propan-2-ylphenoxy)acetamide
SMILESCc1cc(C)n(-c2ccc(CCNC(=O)COc3cccc(C(C)C)c3)cc2)n1
InChIInChI=1S/C24H29N3O2/c1-17(2)21-6-5-7-23(15-21)29-16-24(28)25-13-12-20-8-10-22(11-9-20)27-19(4)14-18(3)26-27/h5-11,14-15,17H,12-13,16H2,1-4H3,(H,25,28)
InChIKeyKOVAZKKJYVWLGR-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.35
Rot. Bonds8

About N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(3-propan-2-ylphenoxy)acetamide

N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(3-propan-2-ylphenoxy)acetamide (PubChem CID 55707299) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(3-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(3-propan-2-ylphenoxy)acetamide
PubChem CID55707299
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(3-propan-2-ylphenoxy)acetamide
SMILESCc1cc(C)n(-c2ccc(CCNC(=O)COc3cccc(C(C)C)c3)cc2)n1
InChIInChI=1S/C24H29N3O2/c1-17(2)21-6-5-7-23(15-21)29-16-24(28)25-13-12-20-8-10-22(11-9-20)27-19(4)14-18(3)26-27/h5-11,14-15,17H,12-13,16H2,1-4H3,(H,25,28)
InChIKeyKOVAZKKJYVWLGR-UHFFFAOYSA-N
XLogP4.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-propan-2-ylphenoxy)-N-propylacetamide
CID 60624182
(2R)-2-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-2-phenylacetamide
CID 94641301
ethyl 2-[[2-(3-propan-2-ylphenoxy)acetyl]amino]acetate
CID 60812030
3-(2-chlorophenyl)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide
CID 55707001
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55840453
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 46476578
N-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 46476253
2-(2-chlorophenoxy)-N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propanamide
CID 46466389
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-phenoxypyridine-3-carboxamide
CID 55723951
[2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(3-acetylphenoxy)acetate
CID 8840794
1-[2-(4-methoxyphenyl)ethyl]-3-[2-(3-propan-2-ylphenoxy)ethyl]urea
CID 112972385
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-2-phenoxyacetamide
CID 94097198

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(3-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(3-propan-2-ylphenoxy)acetamide (CID 55707299) is N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(3-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(3-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(3-propan-2-ylphenoxy)acetamide is Cc1cc(C)n(-c2ccc(CCNC(=O)COc3cccc(C(C)C)c3)cc2)n1.
What is the InChIKey of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(3-propan-2-ylphenoxy)acetamide?
The InChIKey is KOVAZKKJYVWLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-17(2)21-6-5-7-23(15-21)29-16-24(28)25-13-12-20-8-10-22(11-9-20)27-19(4)14-18(3)26-27/h5-11,14-15,17H,12-13,16H2,1-4H3,(H,25,28).
What are the key properties of N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(3-propan-2-ylphenoxy)acetamide?
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(3-propan-2-ylphenoxy)acetamide has a molecular weight of 391.52 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(3-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 55707299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).