N-[1-[5-[1-[2,6-di(propan-2-yl)anilino]ethyl]furan-2-yl]ethyl]-2,6-di(propan-2-yl)aniline

C32H46N2O — CID 130177836

About N-[1-[5-[1-[2,6-di(propan-2-yl)anilino]ethyl]furan-2-yl]ethyl]-2,6-di(propan-2-yl)aniline

N-[1-[5-[1-[2,6-di(propan-2-yl)anilino]ethyl]furan-2-yl]ethyl]-2,6-di(propan-2-yl)aniline (PubChem CID 130177836) has the molecular formula C32H46N2O and a molecular weight of 474.73 g/mol. Its IUPAC name is N-[1-[5-[1-[2,6-di(propan-2-yl)anilino]ethyl]furan-2-yl]ethyl]-2,6-di(propan-2-yl)aniline.

Molecular Properties

• Compound Name: N-[1-[5-[1-[2,6-di(propan-2-yl)anilino]ethyl]furan-2-yl]ethyl]-2,6-di(propan-2-yl)aniline
• PubChem CID: 130177836
• Molecular Formula: C32H46N2O
• Molecular Weight: 474.73 g/mol
• Exact Mass: 474.36
• IUPAC Name: N-[1-[5-[1-[2,6-di(propan-2-yl)anilino]ethyl]furan-2-yl]ethyl]-2,6-di(propan-2-yl)aniline
• SMILES: CC(C)c1cccc(C(C)C)c1NC(C)c1ccc(C(C)Nc2c(C(C)C)cccc2C(C)C)o1
• InChI: InChI=1S/C32H46N2O/c1-19(2)25-13-11-14-26(20(3)4)31(25)33-23(9)29-17-18-30(35-29)24(10)34-32-27(21(5)6)15-12-16-28(32)22(7)8/h11-24,33-34H,1-10H3
• InChIKey: HRLAQPRKWFGIAA-UHFFFAOYSA-N
• XLogP: 10.12
• TPSA: 37.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	474.73
LogP ≤ 5	10.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[1-[2,6-di(propan-2-yl)anilino]ethyl]furan-2-yl]ethyl]-2,6-di(propan-2-yl)aniline?

The IUPAC name of N-[1-[5-[1-[2,6-di(propan-2-yl)anilino]ethyl]furan-2-yl]ethyl]-2,6-di(propan-2-yl)aniline (CID 130177836) is N-[1-[5-[1-[2,6-di(propan-2-yl)anilino]ethyl]furan-2-yl]ethyl]-2,6-di(propan-2-yl)aniline.

What is the SMILES notation for N-[1-[5-[1-[2,6-di(propan-2-yl)anilino]ethyl]furan-2-yl]ethyl]-2,6-di(propan-2-yl)aniline?

The canonical SMILES for N-[1-[5-[1-[2,6-di(propan-2-yl)anilino]ethyl]furan-2-yl]ethyl]-2,6-di(propan-2-yl)aniline is CC(C)c1cccc(C(C)C)c1NC(C)c1ccc(C(C)Nc2c(C(C)C)cccc2C(C)C)o1.

What is the InChIKey of N-[1-[5-[1-[2,6-di(propan-2-yl)anilino]ethyl]furan-2-yl]ethyl]-2,6-di(propan-2-yl)aniline?

The InChIKey is HRLAQPRKWFGIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H46N2O/c1-19(2)25-13-11-14-26(20(3)4)31(25)33-23(9)29-17-18-30(35-29)24(10)34-32-27(21(5)6)15-12-16-28(32)22(7)8/h11-24,33-34H,1-10H3.

What are the key properties of N-[1-[5-[1-[2,6-di(propan-2-yl)anilino]ethyl]furan-2-yl]ethyl]-2,6-di(propan-2-yl)aniline?

N-[1-[5-[1-[2,6-di(propan-2-yl)anilino]ethyl]furan-2-yl]ethyl]-2,6-di(propan-2-yl)aniline has a molecular weight of 474.73 g/mol, XLogP of 10.12, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-[1-[2,6-di(propan-2-yl)anilino]ethyl]furan-2-yl]ethyl]-2,6-di(propan-2-yl)aniline is sourced from PubChem (CID 130177836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).