N-tert-butyl-2-[1-[(2,4,4-trimethylpentan-2-ylamino)methyl]naphthalen-2-yl]oxyacetamide

C25H38N2O2 — CID 17053727

About N-tert-butyl-2-[1-[(2,4,4-trimethylpentan-2-ylamino)methyl]naphthalen-2-yl]oxyacetamide

N-tert-butyl-2-[1-[(2,4,4-trimethylpentan-2-ylamino)methyl]naphthalen-2-yl]oxyacetamide (PubChem CID 17053727) has the molecular formula C25H38N2O2 and a molecular weight of 398.59 g/mol. Its IUPAC name is N-tert-butyl-2-[1-[(2,4,4-trimethylpentan-2-ylamino)methyl]naphthalen-2-yl]oxyacetamide.

Molecular Properties

• Compound Name: N-tert-butyl-2-[1-[(2,4,4-trimethylpentan-2-ylamino)methyl]naphthalen-2-yl]oxyacetamide
• PubChem CID: 17053727
• Molecular Formula: C25H38N2O2
• Molecular Weight: 398.59 g/mol
• Exact Mass: 398.29
• IUPAC Name: N-tert-butyl-2-[1-[(2,4,4-trimethylpentan-2-ylamino)methyl]naphthalen-2-yl]oxyacetamide
• SMILES: CC(C)(C)CC(C)(C)NCc1c(OCC(=O)NC(C)(C)C)ccc2ccccc12
• InChI: InChI=1S/C25H38N2O2/c1-23(2,3)17-25(7,8)26-15-20-19-12-10-9-11-18(19)13-14-21(20)29-16-22(28)27-24(4,5)6/h9-14,26H,15-17H2,1-8H3,(H,27,28)
• InChIKey: UHYRZUNVDDDERG-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 50.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	398.59
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-[(2,4,4-trimethylpentan-2-ylamino)methyl]naphthalen-2-yl]oxyacetamide?

The IUPAC name of N-tert-butyl-2-[1-[(2,4,4-trimethylpentan-2-ylamino)methyl]naphthalen-2-yl]oxyacetamide (CID 17053727) is N-tert-butyl-2-[1-[(2,4,4-trimethylpentan-2-ylamino)methyl]naphthalen-2-yl]oxyacetamide.

What is the SMILES notation for N-tert-butyl-2-[1-[(2,4,4-trimethylpentan-2-ylamino)methyl]naphthalen-2-yl]oxyacetamide?

The canonical SMILES for N-tert-butyl-2-[1-[(2,4,4-trimethylpentan-2-ylamino)methyl]naphthalen-2-yl]oxyacetamide is CC(C)(C)CC(C)(C)NCc1c(OCC(=O)NC(C)(C)C)ccc2ccccc12.

What is the InChIKey of N-tert-butyl-2-[1-[(2,4,4-trimethylpentan-2-ylamino)methyl]naphthalen-2-yl]oxyacetamide?

The InChIKey is UHYRZUNVDDDERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H38N2O2/c1-23(2,3)17-25(7,8)26-15-20-19-12-10-9-11-18(19)13-14-21(20)29-16-22(28)27-24(4,5)6/h9-14,26H,15-17H2,1-8H3,(H,27,28).

What are the key properties of N-tert-butyl-2-[1-[(2,4,4-trimethylpentan-2-ylamino)methyl]naphthalen-2-yl]oxyacetamide?

N-tert-butyl-2-[1-[(2,4,4-trimethylpentan-2-ylamino)methyl]naphthalen-2-yl]oxyacetamide has a molecular weight of 398.59 g/mol, XLogP of 5.44, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-tert-butyl-2-[1-[(2,4,4-trimethylpentan-2-ylamino)methyl]naphthalen-2-yl]oxyacetamide is sourced from PubChem (CID 17053727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).