3-methoxy-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide

C23H33N3O3 — CID 4270799

About 3-methoxy-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide

3-methoxy-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide (PubChem CID 4270799) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 3-methoxy-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide.

Molecular Properties

• Compound Name: 3-methoxy-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide
• PubChem CID: 4270799
• Molecular Formula: C23H33N3O3
• Molecular Weight: 399.54 g/mol
• Exact Mass: 399.25
• IUPAC Name: 3-methoxy-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide
• SMILES: CCCN(CC(=O)N(Cc1cccn1C)CC(C)C)C(=O)c1cccc(OC)c1
• InChI: InChI=1S/C23H33N3O3/c1-6-12-25(23(28)19-9-7-11-21(14-19)29-5)17-22(27)26(15-18(2)3)16-20-10-8-13-24(20)4/h7-11,13-14,18H,6,12,15-17H2,1-5H3
• InChIKey: LCUNNOOFUNERHX-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 54.78 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.54
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide?

The IUPAC name of 3-methoxy-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide (CID 4270799) is 3-methoxy-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide.

What is the SMILES notation for 3-methoxy-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide?

The canonical SMILES for 3-methoxy-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide is CCCN(CC(=O)N(Cc1cccn1C)CC(C)C)C(=O)c1cccc(OC)c1.

What is the InChIKey of 3-methoxy-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide?

The InChIKey is LCUNNOOFUNERHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-6-12-25(23(28)19-9-7-11-21(14-19)29-5)17-22(27)26(15-18(2)3)16-20-10-8-13-24(20)4/h7-11,13-14,18H,6,12,15-17H2,1-5H3.

What are the key properties of 3-methoxy-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide?

3-methoxy-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide has a molecular weight of 399.54 g/mol, XLogP of 3.57, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxy-N-[2-[2-methylpropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-propylbenzamide is sourced from PubChem (CID 4270799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).