N-[4-(dimethylamino)naphthalen-1-yl]-2-(4-methoxyphenyl)acetamide

C21H22N2O2 — CID 881115

IUPACN-[4-(dimethylamino)naphthalen-1-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(N(C)C)c3ccccc23)cc1
InChIInChI=1S/C21H22N2O2/c1-23(2)20-13-12-19(17-6-4-5-7-18(17)20)22-21(24)14-15-8-10-16(25-3)11-9-15/h4-13H,14H2,1-3H3,(H,22,24)
InChIKeyHMMRVKPBTKGUIO-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.10
Rot. Bonds5

About N-[4-(dimethylamino)naphthalen-1-yl]-2-(4-methoxyphenyl)acetamide

N-[4-(dimethylamino)naphthalen-1-yl]-2-(4-methoxyphenyl)acetamide (PubChem CID 881115) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[4-(dimethylamino)naphthalen-1-yl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)naphthalen-1-yl]-2-(4-methoxyphenyl)acetamide
PubChem CID881115
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC NameN-[4-(dimethylamino)naphthalen-1-yl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(N(C)C)c3ccccc23)cc1
InChIInChI=1S/C21H22N2O2/c1-23(2)20-13-12-19(17-6-4-5-7-18(17)20)22-21(24)14-15-8-10-16(25-3)11-9-15/h4-13H,14H2,1-3H3,(H,22,24)
InChIKeyHMMRVKPBTKGUIO-UHFFFAOYSA-N
XLogP4.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)naphthalen-1-yl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[4-(dimethylamino)naphthalen-1-yl]-2-(4-methoxyphenyl)acetamide (CID 881115) is N-[4-(dimethylamino)naphthalen-1-yl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[4-(dimethylamino)naphthalen-1-yl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[4-(dimethylamino)naphthalen-1-yl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2ccc(N(C)C)c3ccccc23)cc1.
What is the InChIKey of N-[4-(dimethylamino)naphthalen-1-yl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is HMMRVKPBTKGUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-23(2)20-13-12-19(17-6-4-5-7-18(17)20)22-21(24)14-15-8-10-16(25-3)11-9-15/h4-13H,14H2,1-3H3,(H,22,24).
What are the key properties of N-[4-(dimethylamino)naphthalen-1-yl]-2-(4-methoxyphenyl)acetamide?
N-[4-(dimethylamino)naphthalen-1-yl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 334.42 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)naphthalen-1-yl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 881115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).