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

C32H41N4O3P — CID 90767096

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

N,5-dimethyl-N-[(2R)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-5-(phosphanylamino)hex-2-enamide (PubChem CID 90767096) has the molecular formula C32H41N4O3P and a molecular weight of 560.68 g/mol. Its IUPAC name is N,5-dimethyl-N-[(2R)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-5-(phosphanylamino)hex-2-enamide.

Molecular Properties

• Compound Name: N,5-dimethyl-N-[(2R)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-5-(phosphanylamino)hex-2-enamide
• PubChem CID: 90767096
• Molecular Formula: C32H41N4O3P
• Molecular Weight: 560.68 g/mol
• Exact Mass: 560.29
• IUPAC Name: N,5-dimethyl-N-[(2R)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-5-(phosphanylamino)hex-2-enamide
• SMILES: CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)C=CCC(C)(C)NP
• InChI: InChI=1S/C32H41N4O3P/c1-32(2,34-40)19-11-16-29(37)35(4)28(22-24-17-18-25-14-9-10-15-26(25)20-24)31(39)36(5)27(30(38)33-3)21-23-12-7-6-8-13-23/h6-18,20,27-28,34H,19,21-22,40H2,1-5H3,(H,33,38)/t27-,28-/m1/s1
• InChIKey: IUIPINAWRXCROA-VSGBNLITSA-N
• XLogP: 4.13
• TPSA: 81.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.68
LogP ≤ 5	4.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N,5-dimethyl-N-[(2R)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-5-(phosphanylamino)hex-2-enamide (CID 90767096) is N,5-dimethyl-N-[(2R)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-5-(phosphanylamino)hex-2-enamide.

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

The canonical SMILES for N,5-dimethyl-N-[(2R)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-5-(phosphanylamino)hex-2-enamide is CNC(=O)[C@@H](Cc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc2ccccc2c1)N(C)C(=O)C=CCC(C)(C)NP.

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

The InChIKey is IUIPINAWRXCROA-VSGBNLITSA-N. The full InChI is InChI=1S/C32H41N4O3P/c1-32(2,34-40)19-11-16-29(37)35(4)28(22-24-17-18-25-14-9-10-15-26(25)20-24)31(39)36(5)27(30(38)33-3)21-23-12-7-6-8-13-23/h6-18,20,27-28,34H,19,21-22,40H2,1-5H3,(H,33,38)/t27-,28-/m1/s1.

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

N,5-dimethyl-N-[(2R)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-5-(phosphanylamino)hex-2-enamide has a molecular weight of 560.68 g/mol, XLogP of 4.13, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,5-dimethyl-N-[(2R)-1-[methyl-[(2R)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-5-(phosphanylamino)hex-2-enamide is sourced from PubChem (CID 90767096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).