N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide

C23H29N3O4 — CID 1199064

About N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide

N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide (PubChem CID 1199064) has the molecular formula C23H29N3O4 and a molecular weight of 411.50 g/mol. Its IUPAC name is N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide.

Molecular Properties

• Compound Name: N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide
• PubChem CID: 1199064
• Molecular Formula: C23H29N3O4
• Molecular Weight: 411.50 g/mol
• Exact Mass: 411.22
• IUPAC Name: N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide
• SMILES: COc1cc(OC)cc(C(=O)N(CC(=O)N(Cc2cccn2C)C2CC2)C2CC2)c1
• InChI: InChI=1S/C23H29N3O4/c1-24-10-4-5-19(24)14-25(17-6-7-17)22(27)15-26(18-8-9-18)23(28)16-11-20(29-2)13-21(12-16)30-3/h4-5,10-13,17-18H,6-9,14-15H2,1-3H3
• InChIKey: QVBKNWQDHMLSGC-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 64.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.50
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide?

The IUPAC name of N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide (CID 1199064) is N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide.

What is the SMILES notation for N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide?

The canonical SMILES for N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)N(CC(=O)N(Cc2cccn2C)C2CC2)C2CC2)c1.

What is the InChIKey of N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide?

The InChIKey is QVBKNWQDHMLSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4/c1-24-10-4-5-19(24)14-25(17-6-7-17)22(27)15-26(18-8-9-18)23(28)16-11-20(29-2)13-21(12-16)30-3/h4-5,10-13,17-18H,6-9,14-15H2,1-3H3.

What are the key properties of N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide?

N-cyclopropyl-N-[2-[cyclopropyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-3,5-dimethoxybenzamide has a molecular weight of 411.50 g/mol, XLogP of 2.84, 9 rotatable bonds, 0 hydrogen bond donors, and 5 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]-3,5-dimethoxybenzamide is sourced from PubChem (CID 1199064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).