N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-2-methoxybenzamide

C30H32N4O3 — CID 42740944

IUPACN-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H32N4O3/c1-30(2,3)26-19-27(34(32-26)23-15-9-6-10-16-23)31-28(35)21-33(20-22-13-7-5-8-14-22)29(36)24-17-11-12-18-25(24)37-4/h5-19H,20-21H2,1-4H3,(H,31,35)
InChIKeyKJUUCPYOWOUSFS-UHFFFAOYSA-N
MW496.61 g/mol
LogP5.46
Rot. Bonds8

About N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-2-methoxybenzamide

N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-2-methoxybenzamide (PubChem CID 42740944) has the molecular formula C30H32N4O3 and a molecular weight of 496.61 g/mol. Its IUPAC name is N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-2-methoxybenzamide
PubChem CID42740944
Molecular FormulaC30H32N4O3
Molecular Weight496.61 g/mol
Exact Mass496.25
IUPAC NameN-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)Cc1ccccc1
InChIInChI=1S/C30H32N4O3/c1-30(2,3)26-19-27(34(32-26)23-15-9-6-10-16-23)31-28(35)21-33(20-22-13-7-5-8-14-22)29(36)24-17-11-12-18-25(24)37-4/h5-19H,20-21H2,1-4H3,(H,31,35)
InChIKeyKJUUCPYOWOUSFS-UHFFFAOYSA-N
XLogP5.46
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-2-methoxybenzamide 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

N-benzyl-N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]benzamide
CID 42734696
2-[benzyl(ethylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42740988
2-[benzyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 3544759
N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]propanamide
CID 1060840
2-[benzyl(dimethylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42740945
2-[benzyl-[(2-methoxyphenyl)carbamoyl]amino]-N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]acetamide
CID 1056689
N-benzyl-N-[2-[[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-2-methylbenzamide
CID 3436068
2-[benzyl(butylcarbamoyl)amino]-N-(3-tert-butyl-1-phenylpyrazol-5-yl)acetamide
CID 42740989
N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 42740947
2-[benzyl-[(2-methoxyphenyl)carbamoyl]amino]-N-[3-tert-butyl-1-(3,4-dichlorophenyl)pyrazol-5-yl]acetamide
CID 3873930
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-methoxybenzamide
CID 42730468
N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]hexanamide
CID 4665313

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-2-methoxybenzamide?
The IUPAC name of N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-2-methoxybenzamide (CID 42740944) is N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-2-methoxybenzamide.
What is the SMILES notation for N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-2-methoxybenzamide?
The canonical SMILES for N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-2-methoxybenzamide is COc1ccccc1C(=O)N(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-2-methoxybenzamide?
The InChIKey is KJUUCPYOWOUSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O3/c1-30(2,3)26-19-27(34(32-26)23-15-9-6-10-16-23)31-28(35)21-33(20-22-13-7-5-8-14-22)29(36)24-17-11-12-18-25(24)37-4/h5-19H,20-21H2,1-4H3,(H,31,35).
What are the key properties of N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-2-methoxybenzamide?
N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-2-methoxybenzamide has a molecular weight of 496.61 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-[(3-tert-butyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-2-methoxybenzamide is sourced from PubChem (CID 42740944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).