2-[3-(2-methoxynaphthalen-1-yl)phenyl]-N-methyl-N-(2-phenylethyl)acetamide

C28H27NO2 — CID 10669237

IUPAC2-[3-(2-methoxynaphthalen-1-yl)phenyl]-N-methyl-N-(2-phenylethyl)acetamide
SMILESCOc1ccc2ccccc2c1-c1cccc(CC(=O)N(C)CCc2ccccc2)c1
InChIInChI=1S/C28H27NO2/c1-29(18-17-21-9-4-3-5-10-21)27(30)20-22-11-8-13-24(19-22)28-25-14-7-6-12-23(25)15-16-26(28)31-2/h3-16,19H,17-18,20H2,1-2H3
InChIKeyNUPRTOOLRNHUKL-UHFFFAOYSA-N
MW409.53 g/mol
LogP5.76
Rot. Bonds7

About 2-[3-(2-methoxynaphthalen-1-yl)phenyl]-N-methyl-N-(2-phenylethyl)acetamide

2-[3-(2-methoxynaphthalen-1-yl)phenyl]-N-methyl-N-(2-phenylethyl)acetamide (PubChem CID 10669237) has the molecular formula C28H27NO2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 2-[3-(2-methoxynaphthalen-1-yl)phenyl]-N-methyl-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(2-methoxynaphthalen-1-yl)phenyl]-N-methyl-N-(2-phenylethyl)acetamide
PubChem CID10669237
Molecular FormulaC28H27NO2
Molecular Weight409.53 g/mol
Exact Mass409.20
IUPAC Name2-[3-(2-methoxynaphthalen-1-yl)phenyl]-N-methyl-N-(2-phenylethyl)acetamide
SMILESCOc1ccc2ccccc2c1-c1cccc(CC(=O)N(C)CCc2ccccc2)c1
InChIInChI=1S/C28H27NO2/c1-29(18-17-21-9-4-3-5-10-21)27(30)20-22-11-8-13-24(19-22)28-25-14-7-6-12-23(25)15-16-26(28)31-2/h3-16,19H,17-18,20H2,1-2H3
InChIKeyNUPRTOOLRNHUKL-UHFFFAOYSA-N
XLogP5.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.53
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methoxynaphthalen-1-yl)phenyl]-N-methyl-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[3-(2-methoxynaphthalen-1-yl)phenyl]-N-methyl-N-(2-phenylethyl)acetamide (CID 10669237) is 2-[3-(2-methoxynaphthalen-1-yl)phenyl]-N-methyl-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-(2-methoxynaphthalen-1-yl)phenyl]-N-methyl-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[3-(2-methoxynaphthalen-1-yl)phenyl]-N-methyl-N-(2-phenylethyl)acetamide is COc1ccc2ccccc2c1-c1cccc(CC(=O)N(C)CCc2ccccc2)c1.
What is the InChIKey of 2-[3-(2-methoxynaphthalen-1-yl)phenyl]-N-methyl-N-(2-phenylethyl)acetamide?
The InChIKey is NUPRTOOLRNHUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27NO2/c1-29(18-17-21-9-4-3-5-10-21)27(30)20-22-11-8-13-24(19-22)28-25-14-7-6-12-23(25)15-16-26(28)31-2/h3-16,19H,17-18,20H2,1-2H3.
What are the key properties of 2-[3-(2-methoxynaphthalen-1-yl)phenyl]-N-methyl-N-(2-phenylethyl)acetamide?
2-[3-(2-methoxynaphthalen-1-yl)phenyl]-N-methyl-N-(2-phenylethyl)acetamide has a molecular weight of 409.53 g/mol, XLogP of 5.76, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methoxynaphthalen-1-yl)phenyl]-N-methyl-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 10669237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).