(E)-5-amino-N,5-dimethyl-N-[1-[methyl-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]hex-2-enamide

C28H38N4O3 — CID 20827489

About (E)-5-amino-N,5-dimethyl-N-[1-[methyl-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]hex-2-enamide

(E)-5-amino-N,5-dimethyl-N-[1-[methyl-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]hex-2-enamide (PubChem CID 20827489) has the molecular formula C28H38N4O3 and a molecular weight of 478.64 g/mol. Its IUPAC name is (E)-5-amino-N,5-dimethyl-N-[1-[methyl-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]hex-2-enamide.

Molecular Properties

• Compound Name: (E)-5-amino-N,5-dimethyl-N-[1-[methyl-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]hex-2-enamide
• PubChem CID: 20827489
• Molecular Formula: C28H38N4O3
• Molecular Weight: 478.64 g/mol
• Exact Mass: 478.29
• IUPAC Name: (E)-5-amino-N,5-dimethyl-N-[1-[methyl-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]hex-2-enamide
• SMILES: CNC(=O)C(Cc1ccccc1)N(C)C(=O)C(Cc1ccccc1)N(C)C(=O)/C=C/CC(C)(C)N
• InChI: InChI=1S/C28H38N4O3/c1-28(2,29)18-12-17-25(33)31(4)24(20-22-15-10-7-11-16-22)27(35)32(5)23(26(34)30-3)19-21-13-8-6-9-14-21/h6-17,23-24H,18-20,29H2,1-5H3,(H,30,34)/b17-12+
• InChIKey: QZDQXGXQWBZCTM-SFQUDFHCSA-N
• XLogP: 2.56
• TPSA: 95.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.64
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-5-amino-N,5-dimethyl-N-[1-[methyl-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]hex-2-enamide?

The IUPAC name of (E)-5-amino-N,5-dimethyl-N-[1-[methyl-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]hex-2-enamide (CID 20827489) is (E)-5-amino-N,5-dimethyl-N-[1-[methyl-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]hex-2-enamide.

What is the SMILES notation for (E)-5-amino-N,5-dimethyl-N-[1-[methyl-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]hex-2-enamide?

The canonical SMILES for (E)-5-amino-N,5-dimethyl-N-[1-[methyl-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]hex-2-enamide is CNC(=O)C(Cc1ccccc1)N(C)C(=O)C(Cc1ccccc1)N(C)C(=O)/C=C/CC(C)(C)N.

What is the InChIKey of (E)-5-amino-N,5-dimethyl-N-[1-[methyl-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]hex-2-enamide?

The InChIKey is QZDQXGXQWBZCTM-SFQUDFHCSA-N. The full InChI is InChI=1S/C28H38N4O3/c1-28(2,29)18-12-17-25(33)31(4)24(20-22-15-10-7-11-16-22)27(35)32(5)23(26(34)30-3)19-21-13-8-6-9-14-21/h6-17,23-24H,18-20,29H2,1-5H3,(H,30,34)/b17-12+.

What are the key properties of (E)-5-amino-N,5-dimethyl-N-[1-[methyl-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]hex-2-enamide?

(E)-5-amino-N,5-dimethyl-N-[1-[methyl-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]hex-2-enamide has a molecular weight of 478.64 g/mol, XLogP of 2.56, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-5-amino-N,5-dimethyl-N-[1-[methyl-[1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]hex-2-enamide is sourced from PubChem (CID 20827489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).