[1-[[1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylcarbamic acid

C27H30N4O5 — CID 18704630

About [1-[[1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylcarbamic acid

[1-[[1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylcarbamic acid (PubChem CID 18704630) has the molecular formula C27H30N4O5 and a molecular weight of 490.56 g/mol. Its IUPAC name is [1-[[1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylcarbamic acid.

Molecular Properties

• Compound Name: [1-[[1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylcarbamic acid
• PubChem CID: 18704630
• Molecular Formula: C27H30N4O5
• Molecular Weight: 490.56 g/mol
• Exact Mass: 490.22
• IUPAC Name: [1-[[1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylcarbamic acid
• SMILES: CC(=O)NNC(=O)C(Cc1ccccc1)N(C)C(=O)C(Cc1ccc2ccccc2c1)N(C)C(=O)O
• InChI: InChI=1S/C27H30N4O5/c1-18(32)28-29-25(33)23(16-19-9-5-4-6-10-19)30(2)26(34)24(31(3)27(35)36)17-20-13-14-21-11-7-8-12-22(21)15-20/h4-15,23-24H,16-17H2,1-3H3,(H,28,32)(H,29,33)(H,35,36)
• InChIKey: MWKNGFYDPYGUQV-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 119.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.56
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1-[[1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylcarbamic acid?

The IUPAC name of [1-[[1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylcarbamic acid (CID 18704630) is [1-[[1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylcarbamic acid.

What is the SMILES notation for [1-[[1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylcarbamic acid?

The canonical SMILES for [1-[[1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylcarbamic acid is CC(=O)NNC(=O)C(Cc1ccccc1)N(C)C(=O)C(Cc1ccc2ccccc2c1)N(C)C(=O)O.

What is the InChIKey of [1-[[1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylcarbamic acid?

The InChIKey is MWKNGFYDPYGUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O5/c1-18(32)28-29-25(33)23(16-19-9-5-4-6-10-19)30(2)26(34)24(31(3)27(35)36)17-20-13-14-21-11-7-8-12-22(21)15-20/h4-15,23-24H,16-17H2,1-3H3,(H,28,32)(H,29,33)(H,35,36).

What are the key properties of [1-[[1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylcarbamic acid?

[1-[[1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylcarbamic acid has a molecular weight of 490.56 g/mol, XLogP of 2.60, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[[1-(2-acetylhydrazinyl)-1-oxo-3-phenylpropan-2-yl]-methylamino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-methylcarbamic acid is sourced from PubChem (CID 18704630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).