2-[butan-2-yl(phenylcarbamoyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C22H30N4O2 — CID 4027827

About 2-[butan-2-yl(phenylcarbamoyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-[butan-2-yl(phenylcarbamoyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 4027827) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-[butan-2-yl(phenylcarbamoyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[butan-2-yl(phenylcarbamoyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• PubChem CID: 4027827
• Molecular Formula: C22H30N4O2
• Molecular Weight: 382.51 g/mol
• Exact Mass: 382.24
• IUPAC Name: 2-[butan-2-yl(phenylcarbamoyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• SMILES: CCC(C)N(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)Nc1ccccc1
• InChI: InChI=1S/C22H30N4O2/c1-4-17(2)25(22(28)23-18-9-6-5-7-10-18)16-21(27)26(19-12-13-19)15-20-11-8-14-24(20)3/h5-11,14,17,19H,4,12-13,15-16H2,1-3H3,(H,23,28)
• InChIKey: FVOOJNROPPYFPV-UHFFFAOYSA-N
• XLogP: 3.85
• TPSA: 57.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.51
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(phenylcarbamoyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The IUPAC name of 2-[butan-2-yl(phenylcarbamoyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 4027827) is 2-[butan-2-yl(phenylcarbamoyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[butan-2-yl(phenylcarbamoyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The canonical SMILES for 2-[butan-2-yl(phenylcarbamoyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide is CCC(C)N(CC(=O)N(Cc1cccn1C)C1CC1)C(=O)Nc1ccccc1.

What is the InChIKey of 2-[butan-2-yl(phenylcarbamoyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The InChIKey is FVOOJNROPPYFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-4-17(2)25(22(28)23-18-9-6-5-7-10-18)16-21(27)26(19-12-13-19)15-20-11-8-14-24(20)3/h5-11,14,17,19H,4,12-13,15-16H2,1-3H3,(H,23,28).

What are the key properties of 2-[butan-2-yl(phenylcarbamoyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

2-[butan-2-yl(phenylcarbamoyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 382.51 g/mol, XLogP of 3.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[butan-2-yl(phenylcarbamoyl)amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 4027827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).