methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

C19H32N3O2+ — CID 8912939

About methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 8912939) has the molecular formula C19H32N3O2+ and a molecular weight of 334.48 g/mol. Its IUPAC name is methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

• Compound Name: methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
• PubChem CID: 8912939
• Molecular Formula: C19H32N3O2+
• Molecular Weight: 334.48 g/mol
• Exact Mass: 334.25
• IUPAC Name: methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
• SMILES: Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+](C)CC(=O)NC(C)C
• InChI: InChI=1S/C19H31N3O2/c1-12(2)16-10-8-9-14(5)18(16)21-19(24)15(6)22(7)11-17(23)20-13(3)4/h8-10,12-13,15H,11H2,1-7H3,(H,20,23)(H,21,24)/p+1/t15-/m0/s1
• InChIKey: INRFAQQHVGOSEZ-HNNXBMFYSA-O
• XLogP: 1.48
• TPSA: 62.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.48
LogP ≤ 5	1.48
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?

The IUPAC name of methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 8912939) is methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

What is the SMILES notation for methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?

The canonical SMILES for methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[NH+](C)CC(=O)NC(C)C.

What is the InChIKey of methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?

The InChIKey is INRFAQQHVGOSEZ-HNNXBMFYSA-O. The full InChI is InChI=1S/C19H31N3O2/c1-12(2)16-10-8-9-14(5)18(16)21-19(24)15(6)22(7)11-17(23)20-13(3)4/h8-10,12-13,15H,11H2,1-7H3,(H,20,23)(H,21,24)/p+1/t15-/m0/s1.

What are the key properties of methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?

methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 334.48 g/mol, XLogP of 1.48, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for methyl-[(2S)-1-(2-methyl-6-propan-2-ylanilino)-1-oxopropan-2-yl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 8912939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).