(2R)-N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide

C18H18N5O3- — CID 6972484

About (2R)-N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide

(2R)-N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide (PubChem CID 6972484) has the molecular formula C18H18N5O3- and a molecular weight of 352.37 g/mol. Its IUPAC name is (2R)-N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide.

Molecular Properties

• Compound Name: (2R)-N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
• PubChem CID: 6972484
• Molecular Formula: C18H18N5O3-
• Molecular Weight: 352.37 g/mol
• Exact Mass: 352.14
• IUPAC Name: (2R)-N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
• SMILES: COc1ccc(C[C@@H](C(=O)Nc2ccccc2OC)c2nnn[n-]2)cc1
• InChI: InChI=1S/C18H19N5O3/c1-25-13-9-7-12(8-10-13)11-14(17-20-22-23-21-17)18(24)19-15-5-3-4-6-16(15)26-2/h3-10,14H,11H2,1-2H3,(H2,19,20,21,22,23,24)/p-1/t14-/m1/s1
• InChIKey: POKQVSJDMZOASK-CQSZACIVSA-M
• XLogP: 1.81
• TPSA: 100.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.37
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide?

The IUPAC name of (2R)-N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide (CID 6972484) is (2R)-N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide.

What is the SMILES notation for (2R)-N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide?

The canonical SMILES for (2R)-N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide is COc1ccc(C[C@@H](C(=O)Nc2ccccc2OC)c2nnn[n-]2)cc1.

What is the InChIKey of (2R)-N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide?

The InChIKey is POKQVSJDMZOASK-CQSZACIVSA-M. The full InChI is InChI=1S/C18H19N5O3/c1-25-13-9-7-12(8-10-13)11-14(17-20-22-23-21-17)18(24)19-15-5-3-4-6-16(15)26-2/h3-10,14H,11H2,1-2H3,(H2,19,20,21,22,23,24)/p-1/t14-/m1/s1.

What are the key properties of (2R)-N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide?

(2R)-N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide has a molecular weight of 352.37 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-(2-methoxyphenyl)-3-(4-methoxyphenyl)-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide is sourced from PubChem (CID 6972484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).