N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide

C23H27N3O4 — CID 4623937

About N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide

N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide (PubChem CID 4623937) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide
• PubChem CID: 4623937
• Molecular Formula: C23H27N3O4
• Molecular Weight: 409.49 g/mol
• Exact Mass: 409.20
• IUPAC Name: N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide
• SMILES: COc1ccc(NC(=O)CNC(=O)CN(CC2CC2)C(=O)c2ccccc2C)cc1
• InChI: InChI=1S/C23H27N3O4/c1-16-5-3-4-6-20(16)23(29)26(14-17-7-8-17)15-22(28)24-13-21(27)25-18-9-11-19(30-2)12-10-18/h3-6,9-12,17H,7-8,13-15H2,1-2H3,(H,24,28)(H,25,27)
• InChIKey: IVNWDGYONAQJTG-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 87.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.49
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide?

The IUPAC name of N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide (CID 4623937) is N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide.

What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide?

The canonical SMILES for N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide is COc1ccc(NC(=O)CNC(=O)CN(CC2CC2)C(=O)c2ccccc2C)cc1.

What is the InChIKey of N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide?

The InChIKey is IVNWDGYONAQJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-16-5-3-4-6-20(16)23(29)26(14-17-7-8-17)15-22(28)24-13-21(27)25-18-9-11-19(30-2)12-10-18/h3-6,9-12,17H,7-8,13-15H2,1-2H3,(H,24,28)(H,25,27).

What are the key properties of N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide?

N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide has a molecular weight of 409.49 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]amino]-2-oxoethyl]-2-methylbenzamide is sourced from PubChem (CID 4623937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).