[4-(dimethylamino)naphthalen-1-yl]-(3-methoxyphenyl)methanone

C20H19NO2 — CID 44580812

IUPAC[4-(dimethylamino)naphthalen-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(N(C)C)c3ccccc23)c1
InChIInChI=1S/C20H19NO2/c1-21(2)19-12-11-18(16-9-4-5-10-17(16)19)20(22)14-7-6-8-15(13-14)23-3/h4-13H,1-3H3
InChIKeyZHLKWIFMZZKMHY-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.15
Rot. Bonds4

About [4-(dimethylamino)naphthalen-1-yl]-(3-methoxyphenyl)methanone

[4-(dimethylamino)naphthalen-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 44580812) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is [4-(dimethylamino)naphthalen-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(dimethylamino)naphthalen-1-yl]-(3-methoxyphenyl)methanone
PubChem CID44580812
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name[4-(dimethylamino)naphthalen-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)c2ccc(N(C)C)c3ccccc23)c1
InChIInChI=1S/C20H19NO2/c1-21(2)19-12-11-18(16-9-4-5-10-17(16)19)20(22)14-7-6-8-15(13-14)23-3/h4-13H,1-3H3
InChIKeyZHLKWIFMZZKMHY-UHFFFAOYSA-N
XLogP4.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)naphthalen-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-(dimethylamino)naphthalen-1-yl]-(3-methoxyphenyl)methanone (CID 44580812) is [4-(dimethylamino)naphthalen-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-(dimethylamino)naphthalen-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-(dimethylamino)naphthalen-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)c2ccc(N(C)C)c3ccccc23)c1.
What is the InChIKey of [4-(dimethylamino)naphthalen-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is ZHLKWIFMZZKMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-21(2)19-12-11-18(16-9-4-5-10-17(16)19)20(22)14-7-6-8-15(13-14)23-3/h4-13H,1-3H3.
What are the key properties of [4-(dimethylamino)naphthalen-1-yl]-(3-methoxyphenyl)methanone?
[4-(dimethylamino)naphthalen-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 305.38 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)naphthalen-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 44580812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).