N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-[(2-phenylacetyl)amino]benzamide

C24H28N4O2 — CID 21369305

IUPACN-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-[(2-phenylacetyl)amino]benzamide
SMILESCCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1C
InChIInChI=1S/C24H28N4O2/c1-4-5-15-28-18(3)23(17(2)27-28)26-24(30)20-11-13-21(14-12-20)25-22(29)16-19-9-7-6-8-10-19/h6-14H,4-5,15-16H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyPEWDODXLUONQCB-UHFFFAOYSA-N
MW404.51 g/mol
LogP4.73
Rot. Bonds8

About N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-[(2-phenylacetyl)amino]benzamide

N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-[(2-phenylacetyl)amino]benzamide (PubChem CID 21369305) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-[(2-phenylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-[(2-phenylacetyl)amino]benzamide
PubChem CID21369305
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-[(2-phenylacetyl)amino]benzamide
SMILESCCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1C
InChIInChI=1S/C24H28N4O2/c1-4-5-15-28-18(3)23(17(2)27-28)26-24(30)20-11-13-21(14-12-20)25-22(29)16-19-9-7-6-8-10-19/h6-14H,4-5,15-16H2,1-3H3,(H,25,29)(H,26,30)
InChIKeyPEWDODXLUONQCB-UHFFFAOYSA-N
XLogP4.73
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 ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-[(2-phenylacetyl)amino]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl N-[4-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]carbamate
CID 21369347
N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-(2,2-dimethylpropanoylamino)benzamide
CID 21369322
4-[[(E)-but-2-enoyl]amino]-N-(1-butyl-3,5-dimethylpyrazol-4-yl)benzamide
CID 21369339
N-(1-butyl-3,5-dimethylpyrazol-4-yl)-3-[(4-methoxybenzoyl)amino]benzamide
CID 21369355
N-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-3-methylbenzamide
CID 21369352
N-(1-butyl-3,5-dimethylpyrazol-4-yl)-2-(3-methylbutanoylamino)benzamide
CID 21369441
N-[3-[(1-butyl-3,5-dimethylpyrazol-4-yl)carbamoyl]phenyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 21369398
N-(2-ethylphenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119447
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]benzamide
CID 19335845
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-(difluoromethoxy)benzamide
CID 19335756
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
N-(3,4-dichlorophenyl)-4-[(2-phenylacetyl)amino]benzamide
CID 17119394

Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-[(2-phenylacetyl)amino]benzamide?
The IUPAC name of N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-[(2-phenylacetyl)amino]benzamide (CID 21369305) is N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-[(2-phenylacetyl)amino]benzamide.
What is the SMILES notation for N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-[(2-phenylacetyl)amino]benzamide?
The canonical SMILES for N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-[(2-phenylacetyl)amino]benzamide is CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)Cc3ccccc3)cc2)c1C.
What is the InChIKey of N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-[(2-phenylacetyl)amino]benzamide?
The InChIKey is PEWDODXLUONQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-4-5-15-28-18(3)23(17(2)27-28)26-24(30)20-11-13-21(14-12-20)25-22(29)16-19-9-7-6-8-10-19/h6-14H,4-5,15-16H2,1-3H3,(H,25,29)(H,26,30).
What are the key properties of N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-[(2-phenylacetyl)amino]benzamide?
N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-[(2-phenylacetyl)amino]benzamide has a molecular weight of 404.51 g/mol, XLogP of 4.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-3,5-dimethylpyrazol-4-yl)-4-[(2-phenylacetyl)amino]benzamide is sourced from PubChem (CID 21369305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).