(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

C21H26N4O4 — CID 9494628

About (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide

(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (PubChem CID 9494628) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.

Molecular Properties

• Compound Name: (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
• PubChem CID: 9494628
• Molecular Formula: C21H26N4O4
• Molecular Weight: 398.46 g/mol
• Exact Mass: 398.20
• IUPAC Name: (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
• SMILES: CCOc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1OC
• InChI: InChI=1S/C21H26N4O4/c1-5-29-18-9-6-14(10-19(18)28-4)12-25(3)13(2)20(26)22-15-7-8-16-17(11-15)24-21(27)23-16/h6-11,13H,5,12H2,1-4H3,(H,22,26)(H2,23,24,27)/t13-/m1/s1
• InChIKey: QPYQIYBDHFZXHQ-CYBMUJFWSA-N
• XLogP: 2.72
• TPSA: 99.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.46
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?

The IUPAC name of (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide (CID 9494628) is (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide.

What is the SMILES notation for (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?

The canonical SMILES for (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is CCOc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1OC.

What is the InChIKey of (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?

The InChIKey is QPYQIYBDHFZXHQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-5-29-18-9-6-14(10-19(18)28-4)12-25(3)13(2)20(26)22-15-7-8-16-17(11-15)24-21(27)23-16/h6-11,13H,5,12H2,1-4H3,(H,22,26)(H2,23,24,27)/t13-/m1/s1.

What are the key properties of (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide?

(2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide has a molecular weight of 398.46 g/mol, XLogP of 2.72, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(4-ethoxy-3-methoxyphenyl)methyl-methylamino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide is sourced from PubChem (CID 9494628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).