N-phenyl-N-[phenyl(pyridin-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

C31H30N2O — CID 56980067

About N-phenyl-N-[phenyl(pyridin-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide

N-phenyl-N-[phenyl(pyridin-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (PubChem CID 56980067) has the molecular formula C31H30N2O and a molecular weight of 446.59 g/mol. Its IUPAC name is N-phenyl-N-[phenyl(pyridin-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.

Molecular Properties

• Compound Name: N-phenyl-N-[phenyl(pyridin-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
• PubChem CID: 56980067
• Molecular Formula: C31H30N2O
• Molecular Weight: 446.59 g/mol
• Exact Mass: 446.24
• IUPAC Name: N-phenyl-N-[phenyl(pyridin-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
• SMILES: O=C(CCC1CCCc2ccccc21)N(c1ccccc1)C(c1ccccc1)c1cccnc1
• InChI: InChI=1S/C31H30N2O/c34-30(21-20-25-15-9-14-24-11-7-8-19-29(24)25)33(28-17-5-2-6-18-28)31(26-12-3-1-4-13-26)27-16-10-22-32-23-27/h1-8,10-13,16-19,22-23,25,31H,9,14-15,20-21H2
• InChIKey: FLBKVMKUXIWJCH-UHFFFAOYSA-N
• XLogP: 7.10
• TPSA: 33.20 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.59
LogP ≤ 5	7.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[phenyl(pyridin-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?

The IUPAC name of N-phenyl-N-[phenyl(pyridin-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide (CID 56980067) is N-phenyl-N-[phenyl(pyridin-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide.

What is the SMILES notation for N-phenyl-N-[phenyl(pyridin-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?

The canonical SMILES for N-phenyl-N-[phenyl(pyridin-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is O=C(CCC1CCCc2ccccc21)N(c1ccccc1)C(c1ccccc1)c1cccnc1.

What is the InChIKey of N-phenyl-N-[phenyl(pyridin-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?

The InChIKey is FLBKVMKUXIWJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N2O/c34-30(21-20-25-15-9-14-24-11-7-8-19-29(24)25)33(28-17-5-2-6-18-28)31(26-12-3-1-4-13-26)27-16-10-22-32-23-27/h1-8,10-13,16-19,22-23,25,31H,9,14-15,20-21H2.

What are the key properties of N-phenyl-N-[phenyl(pyridin-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide?

N-phenyl-N-[phenyl(pyridin-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide has a molecular weight of 446.59 g/mol, XLogP of 7.10, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-phenyl-N-[phenyl(pyridin-3-yl)methyl]-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide is sourced from PubChem (CID 56980067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).