4-acetamido-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)benzamide

C21H30N4O2 — CID 46396694

IUPAC4-acetamido-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)benzamide
SMILESCCn1nc(C)c(CN(CC(C)C)C(=O)c2ccc(NC(C)=O)cc2)c1C
InChIInChI=1S/C21H30N4O2/c1-7-25-16(5)20(15(4)23-25)13-24(12-14(2)3)21(27)18-8-10-19(11-9-18)22-17(6)26/h8-11,14H,7,12-13H2,1-6H3,(H,22,26)
InChIKeyRKNYWZRCABDKKM-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.78
Rot. Bonds7

About 4-acetamido-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)benzamide

4-acetamido-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)benzamide (PubChem CID 46396694) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 4-acetamido-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-acetamido-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)benzamide
PubChem CID46396694
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name4-acetamido-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)benzamide
SMILESCCn1nc(C)c(CN(CC(C)C)C(=O)c2ccc(NC(C)=O)cc2)c1C
InChIInChI=1S/C21H30N4O2/c1-7-25-16(5)20(15(4)23-25)13-24(12-14(2)3)21(27)18-8-10-19(11-9-18)22-17(6)26/h8-11,14H,7,12-13H2,1-6H3,(H,22,26)
InChIKeyRKNYWZRCABDKKM-UHFFFAOYSA-N
XLogP3.78
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-acetamido-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)benzamide?
The IUPAC name of 4-acetamido-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)benzamide (CID 46396694) is 4-acetamido-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 4-acetamido-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)benzamide?
The canonical SMILES for 4-acetamido-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)benzamide is CCn1nc(C)c(CN(CC(C)C)C(=O)c2ccc(NC(C)=O)cc2)c1C.
What is the InChIKey of 4-acetamido-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)benzamide?
The InChIKey is RKNYWZRCABDKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-7-25-16(5)20(15(4)23-25)13-24(12-14(2)3)21(27)18-8-10-19(11-9-18)22-17(6)26/h8-11,14H,7,12-13H2,1-6H3,(H,22,26).
What are the key properties of 4-acetamido-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)benzamide?
4-acetamido-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)benzamide has a molecular weight of 370.50 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 46396694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).