N-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide

C24H28N4O2 — CID 46476253

IUPACN-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide
SMILESCc1cc(C)n(-c2ccc(CCNC(=O)CCNC(=O)c3ccccc3C)cc2)n1
InChIInChI=1S/C24H28N4O2/c1-17-6-4-5-7-22(17)24(30)26-15-13-23(29)25-14-12-20-8-10-21(11-9-20)28-19(3)16-18(2)27-28/h4-11,16H,12-15H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyZECPEDDALNALIE-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.28
Rot. Bonds8

About N-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide

N-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide (PubChem CID 46476253) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide
PubChem CID46476253
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide
SMILESCc1cc(C)n(-c2ccc(CCNC(=O)CCNC(=O)c3ccccc3C)cc2)n1
InChIInChI=1S/C24H28N4O2/c1-17-6-4-5-7-22(17)24(30)26-15-13-23(29)25-14-12-20-8-10-21(11-9-20)28-19(3)16-18(2)27-28/h4-11,16H,12-15H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyZECPEDDALNALIE-UHFFFAOYSA-N
XLogP3.28
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methyl-5-methylsulfonylbenzamide
CID 55707242
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 46476246
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]-3-(1,3-dioxoisoindol-2-yl)propanamide
CID 46476578
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-methyl-3-nitrobenzamide
CID 46476583
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-phenoxypyridine-3-carboxamide
CID 55723951
N-[3-[2-(3-fluorophenyl)ethylamino]-3-oxopropyl]-2-methylbenzamide
CID 9182422
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-5-(2-methoxyethylsulfamoyl)-2-methylbenzamide
CID 55707293
4-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 41412823
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 55707004
N-[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl]-2-methylbenzamide
CID 2681293
N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 55840453

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide?
The IUPAC name of N-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide (CID 46476253) is N-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide.
What is the SMILES notation for N-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide?
The canonical SMILES for N-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide is Cc1cc(C)n(-c2ccc(CCNC(=O)CCNC(=O)c3ccccc3C)cc2)n1.
What is the InChIKey of N-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide?
The InChIKey is ZECPEDDALNALIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-17-6-4-5-7-22(17)24(30)26-15-13-23(29)25-14-12-20-8-10-21(11-9-20)28-19(3)16-18(2)27-28/h4-11,16H,12-15H2,1-3H3,(H,25,29)(H,26,30).
What are the key properties of N-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide?
N-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide has a molecular weight of 404.51 g/mol, XLogP of 3.28, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethylamino]-3-oxopropyl]-2-methylbenzamide is sourced from PubChem (CID 46476253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).