N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide

C24H33N3O2 — CID 42767804

About N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide

N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide (PubChem CID 42767804) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide.

Molecular Properties

• Compound Name: N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide
• PubChem CID: 42767804
• Molecular Formula: C24H33N3O2
• Molecular Weight: 395.55 g/mol
• Exact Mass: 395.26
• IUPAC Name: N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide
• SMILES: CCc1ccc(C(=O)N(CC(=O)N(Cc2cccn2C)C2CC2)C(C)CC)cc1
• InChI: InChI=1S/C24H33N3O2/c1-5-18(3)26(24(29)20-11-9-19(6-2)10-12-20)17-23(28)27(21-13-14-21)16-22-8-7-15-25(22)4/h7-12,15,18,21H,5-6,13-14,16-17H2,1-4H3
• InChIKey: WPLVRXIQBCTWQY-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 45.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.55
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide?

The IUPAC name of N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide (CID 42767804) is N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide.

What is the SMILES notation for N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide?

The canonical SMILES for N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide is CCc1ccc(C(=O)N(CC(=O)N(Cc2cccn2C)C2CC2)C(C)CC)cc1.

What is the InChIKey of N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide?

The InChIKey is WPLVRXIQBCTWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-5-18(3)26(24(29)20-11-9-19(6-2)10-12-20)17-23(28)27(21-13-14-21)16-22-8-7-15-25(22)4/h7-12,15,18,21H,5-6,13-14,16-17H2,1-4H3.

What are the key properties of N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide?

N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide has a molecular weight of 395.55 g/mol, XLogP of 4.02, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide is sourced from PubChem (CID 42767804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).