(E)-5-amino-N-[(2R)-1-[[1-(2,2-dimethylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide

C33H43N5O3 — CID 142007549

About (E)-5-amino-N-[(2R)-1-[[1-(2,2-dimethylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide

(E)-5-amino-N-[(2R)-1-[[1-(2,2-dimethylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide (PubChem CID 142007549) has the molecular formula C33H43N5O3 and a molecular weight of 557.74 g/mol. Its IUPAC name is (E)-5-amino-N-[(2R)-1-[[1-(2,2-dimethylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide.

Molecular Properties

• Compound Name: (E)-5-amino-N-[(2R)-1-[[1-(2,2-dimethylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide
• PubChem CID: 142007549
• Molecular Formula: C33H43N5O3
• Molecular Weight: 557.74 g/mol
• Exact Mass: 557.34
• IUPAC Name: (E)-5-amino-N-[(2R)-1-[[1-(2,2-dimethylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide
• SMILES: CN(C)NC(=O)C(Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N
• InChI: InChI=1S/C33H43N5O3/c1-33(2,34)20-12-17-30(39)37(5)29(23-25-18-19-26-15-10-11-16-27(26)21-25)32(41)38(6)28(31(40)35-36(3)4)22-24-13-8-7-9-14-24/h7-19,21,28-29H,20,22-23,34H2,1-6H3,(H,35,40)/b17-12+/t28?,29-/m1/s1
• InChIKey: WFFJLKOVPSIOBF-FXWXLWKGSA-N
• XLogP: 3.56
• TPSA: 98.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.74
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-5-amino-N-[(2R)-1-[[1-(2,2-dimethylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide?

The IUPAC name of (E)-5-amino-N-[(2R)-1-[[1-(2,2-dimethylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide (CID 142007549) is (E)-5-amino-N-[(2R)-1-[[1-(2,2-dimethylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide.

What is the SMILES notation for (E)-5-amino-N-[(2R)-1-[[1-(2,2-dimethylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide?

The canonical SMILES for (E)-5-amino-N-[(2R)-1-[[1-(2,2-dimethylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide is CN(C)NC(=O)C(Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)/C=C/CC(C)(C)N.

What is the InChIKey of (E)-5-amino-N-[(2R)-1-[[1-(2,2-dimethylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide?

The InChIKey is WFFJLKOVPSIOBF-FXWXLWKGSA-N. The full InChI is InChI=1S/C33H43N5O3/c1-33(2,34)20-12-17-30(39)37(5)29(23-25-18-19-26-15-10-11-16-27(26)21-25)32(41)38(6)28(31(40)35-36(3)4)22-24-13-8-7-9-14-24/h7-19,21,28-29H,20,22-23,34H2,1-6H3,(H,35,40)/b17-12+/t28?,29-/m1/s1.

What are the key properties of (E)-5-amino-N-[(2R)-1-[[1-(2,2-dimethylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide?

(E)-5-amino-N-[(2R)-1-[[1-(2,2-dimethylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide has a molecular weight of 557.74 g/mol, XLogP of 3.56, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-5-amino-N-[(2R)-1-[[1-(2,2-dimethylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-N,5-dimethylhex-2-enamide is sourced from PubChem (CID 142007549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).