2-[ethyl-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide

C20H29N5O2 — CID 17419291

About 2-[ethyl-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide

2-[ethyl-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide (PubChem CID 17419291) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-[ethyl-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[ethyl-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
• PubChem CID: 17419291
• Molecular Formula: C20H29N5O2
• Molecular Weight: 371.49 g/mol
• Exact Mass: 371.23
• IUPAC Name: 2-[ethyl-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
• SMILES: CCN(CC(=O)NC(C)C)CC(=O)N(C)Cc1cnn(-c2ccccc2)c1
• InChI: InChI=1S/C20H29N5O2/c1-5-24(14-19(26)22-16(2)3)15-20(27)23(4)12-17-11-21-25(13-17)18-9-7-6-8-10-18/h6-11,13,16H,5,12,14-15H2,1-4H3,(H,22,26)
• InChIKey: FNYKPZGYJOTZQZ-UHFFFAOYSA-N
• XLogP: 1.68
• TPSA: 70.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.49
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide?

The IUPAC name of 2-[ethyl-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide (CID 17419291) is 2-[ethyl-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide.

What is the SMILES notation for 2-[ethyl-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide?

The canonical SMILES for 2-[ethyl-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)CC(=O)N(C)Cc1cnn(-c2ccccc2)c1.

What is the InChIKey of 2-[ethyl-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide?

The InChIKey is FNYKPZGYJOTZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-5-24(14-19(26)22-16(2)3)15-20(27)23(4)12-17-11-21-25(13-17)18-9-7-6-8-10-18/h6-11,13,16H,5,12,14-15H2,1-4H3,(H,22,26).

What are the key properties of 2-[ethyl-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide?

2-[ethyl-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide has a molecular weight of 371.49 g/mol, XLogP of 1.68, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[ethyl-[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 17419291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).