N-[4-[acetyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide

C21H20N2O2 — CID 833317

IUPACN-[4-[acetyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C21H20N2O2/c1-15(24)23(2)19-12-10-18(11-13-19)22-21(25)14-17-8-5-7-16-6-3-4-9-20(16)17/h3-13H,14H2,1-2H3,(H,22,25)
InChIKeyJQRWKYQNXHWDBW-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.00
Rot. Bonds4

About N-[4-[acetyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide

N-[4-[acetyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide (PubChem CID 833317) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[4-[acetyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide
PubChem CID833317
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC NameN-[4-[acetyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide
SMILESCC(=O)N(C)c1ccc(NC(=O)Cc2cccc3ccccc23)cc1
InChIInChI=1S/C21H20N2O2/c1-15(24)23(2)19-12-10-18(11-13-19)22-21(25)14-17-8-5-7-16-6-3-4-9-20(16)17/h3-13H,14H2,1-2H3,(H,22,25)
InChIKeyJQRWKYQNXHWDBW-UHFFFAOYSA-N
XLogP4.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide (CID 833317) is N-[4-[acetyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide is CC(=O)N(C)c1ccc(NC(=O)Cc2cccc3ccccc23)cc1.
What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide?
The InChIKey is JQRWKYQNXHWDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-15(24)23(2)19-12-10-18(11-13-19)22-21(25)14-17-8-5-7-16-6-3-4-9-20(16)17/h3-13H,14H2,1-2H3,(H,22,25).
What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide?
N-[4-[acetyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide has a molecular weight of 332.40 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[acetyl(methyl)amino]phenyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 833317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).