2-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C25H34N4O2 — CID 1057206

About 2-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 1057206) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 2-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• PubChem CID: 1057206
• Molecular Formula: C25H34N4O2
• Molecular Weight: 422.57 g/mol
• Exact Mass: 422.27
• IUPAC Name: 2-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• SMILES: Cc1cccc(NC(=O)N(CC(=O)N(Cc2cccn2C)C2CC2)C2CCCCC2)c1
• InChI: InChI=1S/C25H34N4O2/c1-19-8-6-9-20(16-19)26-25(31)29(21-10-4-3-5-11-21)18-24(30)28(22-13-14-22)17-23-12-7-15-27(23)2/h6-9,12,15-16,21-22H,3-5,10-11,13-14,17-18H2,1-2H3,(H,26,31)
• InChIKey: OTVBVJRHVXUXKQ-UHFFFAOYSA-N
• XLogP: 4.69
• TPSA: 57.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.57
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The IUPAC name of 2-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 1057206) is 2-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The canonical SMILES for 2-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide is Cc1cccc(NC(=O)N(CC(=O)N(Cc2cccn2C)C2CC2)C2CCCCC2)c1.

What is the InChIKey of 2-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The InChIKey is OTVBVJRHVXUXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-19-8-6-9-20(16-19)26-25(31)29(21-10-4-3-5-11-21)18-24(30)28(22-13-14-22)17-23-12-7-15-27(23)2/h6-9,12,15-16,21-22H,3-5,10-11,13-14,17-18H2,1-2H3,(H,26,31).

What are the key properties of 2-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

2-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 422.57 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[cyclohexyl-[(3-methylphenyl)carbamoyl]amino]-N-cyclopropyl-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 1057206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).