N-methyl-2-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

C24H26N2O2 — CID 8752580

IUPACN-methyl-2-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)Cc2cccc3ccccc23)c(C)c1
InChIInChI=1S/C24H26N2O2/c1-16-12-17(2)24(18(3)13-16)25-22(27)15-26(4)23(28)14-20-10-7-9-19-8-5-6-11-21(19)20/h5-13H,14-15H2,1-4H3,(H,25,27)
InChIKeySXMLNGQZBQKIRL-UHFFFAOYSA-N
MW374.48 g/mol
LogP4.40
Rot. Bonds5

About N-methyl-2-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide

N-methyl-2-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (PubChem CID 8752580) has the molecular formula C24H26N2O2 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-methyl-2-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
PubChem CID8752580
Molecular FormulaC24H26N2O2
Molecular Weight374.48 g/mol
Exact Mass374.20
IUPAC NameN-methyl-2-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
SMILESCc1cc(C)c(NC(=O)CN(C)C(=O)Cc2cccc3ccccc23)c(C)c1
InChIInChI=1S/C24H26N2O2/c1-16-12-17(2)24(18(3)13-16)25-22(27)15-26(4)23(28)14-20-10-7-9-19-8-5-6-11-21(19)20/h5-13H,14-15H2,1-4H3,(H,25,27)
InChIKeySXMLNGQZBQKIRL-UHFFFAOYSA-N
XLogP4.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The IUPAC name of N-methyl-2-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide (CID 8752580) is N-methyl-2-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide.
What is the SMILES notation for N-methyl-2-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The canonical SMILES for N-methyl-2-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is Cc1cc(C)c(NC(=O)CN(C)C(=O)Cc2cccc3ccccc23)c(C)c1.
What is the InChIKey of N-methyl-2-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
The InChIKey is SXMLNGQZBQKIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2/c1-16-12-17(2)24(18(3)13-16)25-22(27)15-26(4)23(28)14-20-10-7-9-19-8-5-6-11-21(19)20/h5-13H,14-15H2,1-4H3,(H,25,27).
What are the key properties of N-methyl-2-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide?
N-methyl-2-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide has a molecular weight of 374.48 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-naphthalen-1-yl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide is sourced from PubChem (CID 8752580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).