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

C23H29N3O2 — CID 1200621

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

N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide (PubChem CID 1200621) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide
• PubChem CID: 1200621
• Molecular Formula: C23H29N3O2
• Molecular Weight: 379.50 g/mol
• Exact Mass: 379.23
• IUPAC Name: N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide
• SMILES: CCc1ccc(C(=O)N(CC(=O)N(Cc2cccn2C)C2CC2)C2CC2)cc1
• InChI: InChI=1S/C23H29N3O2/c1-3-17-6-8-18(9-7-17)23(28)26(20-12-13-20)16-22(27)25(19-10-11-19)15-21-5-4-14-24(21)2/h4-9,14,19-20H,3,10-13,15-16H2,1-2H3
• InChIKey: HNGZVPFCKBDEPE-UHFFFAOYSA-N
• XLogP: 3.38
• TPSA: 45.55 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.50
LogP ≤ 5	3.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide (CID 1200621) is N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide.

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

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

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

The InChIKey is HNGZVPFCKBDEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-17-6-8-18(9-7-17)23(28)26(20-12-13-20)16-22(27)25(19-10-11-19)15-21-5-4-14-24(21)2/h4-9,14,19-20H,3,10-13,15-16H2,1-2H3.

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

N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide has a molecular weight of 379.50 g/mol, XLogP of 3.38, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide is sourced from PubChem (CID 1200621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).