2-[benzyl(furan-2-ylmethyl)amino]-N-naphthalen-2-ylacetamide

C24H22N2O2 — CID 156786218

IUPAC2-[benzyl(furan-2-ylmethyl)amino]-N-naphthalen-2-ylacetamide
SMILESO=C(CN(Cc1ccccc1)Cc1ccco1)Nc1ccc2ccccc2c1
InChIInChI=1S/C24H22N2O2/c27-24(25-22-13-12-20-9-4-5-10-21(20)15-22)18-26(17-23-11-6-14-28-23)16-19-7-2-1-3-8-19/h1-15H,16-18H2,(H,25,27)
InChIKeyLLRJEGCIEQQXKZ-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.07
Rot. Bonds7

About 2-[benzyl(furan-2-ylmethyl)amino]-N-naphthalen-2-ylacetamide

2-[benzyl(furan-2-ylmethyl)amino]-N-naphthalen-2-ylacetamide (PubChem CID 156786218) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[benzyl(furan-2-ylmethyl)amino]-N-naphthalen-2-ylacetamide.

Molecular Properties

Compound Name2-[benzyl(furan-2-ylmethyl)amino]-N-naphthalen-2-ylacetamide
PubChem CID156786218
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name2-[benzyl(furan-2-ylmethyl)amino]-N-naphthalen-2-ylacetamide
SMILESO=C(CN(Cc1ccccc1)Cc1ccco1)Nc1ccc2ccccc2c1
InChIInChI=1S/C24H22N2O2/c27-24(25-22-13-12-20-9-4-5-10-21(20)15-22)18-26(17-23-11-6-14-28-23)16-19-7-2-1-3-8-19/h1-15H,16-18H2,(H,25,27)
InChIKeyLLRJEGCIEQQXKZ-UHFFFAOYSA-N
XLogP5.07
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(furan-2-ylmethyl)amino]-N-naphthalen-2-ylacetamide?
The IUPAC name of 2-[benzyl(furan-2-ylmethyl)amino]-N-naphthalen-2-ylacetamide (CID 156786218) is 2-[benzyl(furan-2-ylmethyl)amino]-N-naphthalen-2-ylacetamide.
What is the SMILES notation for 2-[benzyl(furan-2-ylmethyl)amino]-N-naphthalen-2-ylacetamide?
The canonical SMILES for 2-[benzyl(furan-2-ylmethyl)amino]-N-naphthalen-2-ylacetamide is O=C(CN(Cc1ccccc1)Cc1ccco1)Nc1ccc2ccccc2c1.
What is the InChIKey of 2-[benzyl(furan-2-ylmethyl)amino]-N-naphthalen-2-ylacetamide?
The InChIKey is LLRJEGCIEQQXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c27-24(25-22-13-12-20-9-4-5-10-21(20)15-22)18-26(17-23-11-6-14-28-23)16-19-7-2-1-3-8-19/h1-15H,16-18H2,(H,25,27).
What are the key properties of 2-[benzyl(furan-2-ylmethyl)amino]-N-naphthalen-2-ylacetamide?
2-[benzyl(furan-2-ylmethyl)amino]-N-naphthalen-2-ylacetamide has a molecular weight of 370.45 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(furan-2-ylmethyl)amino]-N-naphthalen-2-ylacetamide is sourced from PubChem (CID 156786218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).