N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(naphthalen-2-ylmethyl)amino]acetamide

C26H26N2O2 — CID 156786214

IUPACN-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(naphthalen-2-ylmethyl)amino]acetamide
SMILESCc1cccc(NC(=O)CN(Cc2ccc3ccccc3c2)Cc2ccco2)c1C
InChIInChI=1S/C26H26N2O2/c1-19-7-5-11-25(20(19)2)27-26(29)18-28(17-24-10-6-14-30-24)16-21-12-13-22-8-3-4-9-23(22)15-21/h3-15H,16-18H2,1-2H3,(H,27,29)
InChIKeyRSJPDYXBTZQFJO-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.69
Rot. Bonds7

About N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(naphthalen-2-ylmethyl)amino]acetamide

N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(naphthalen-2-ylmethyl)amino]acetamide (PubChem CID 156786214) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(naphthalen-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(naphthalen-2-ylmethyl)amino]acetamide
PubChem CID156786214
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC NameN-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(naphthalen-2-ylmethyl)amino]acetamide
SMILESCc1cccc(NC(=O)CN(Cc2ccc3ccccc3c2)Cc2ccco2)c1C
InChIInChI=1S/C26H26N2O2/c1-19-7-5-11-25(20(19)2)27-26(29)18-28(17-24-10-6-14-30-24)16-21-12-13-22-8-3-4-9-23(22)15-21/h3-15H,16-18H2,1-2H3,(H,27,29)
InChIKeyRSJPDYXBTZQFJO-UHFFFAOYSA-N
XLogP5.69
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(naphthalen-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(naphthalen-2-ylmethyl)amino]acetamide (CID 156786214) is N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(naphthalen-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(naphthalen-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(naphthalen-2-ylmethyl)amino]acetamide is Cc1cccc(NC(=O)CN(Cc2ccc3ccccc3c2)Cc2ccco2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(naphthalen-2-ylmethyl)amino]acetamide?
The InChIKey is RSJPDYXBTZQFJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-19-7-5-11-25(20(19)2)27-26(29)18-28(17-24-10-6-14-30-24)16-21-12-13-22-8-3-4-9-23(22)15-21/h3-15H,16-18H2,1-2H3,(H,27,29).
What are the key properties of N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(naphthalen-2-ylmethyl)amino]acetamide?
N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(naphthalen-2-ylmethyl)amino]acetamide has a molecular weight of 398.51 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-2-[furan-2-ylmethyl(naphthalen-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 156786214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).