3-(1,4-dimethoxynaphthalen-2-yl)-2-(methylamino)propan-1-one;tungsten

C16H18NO3W- — CID 59623856

IUPAC3-(1,4-dimethoxynaphthalen-2-yl)-2-(methylamino)propan-1-one;tungsten
SMILESCNC([C-]=O)Cc1cc(OC)c2ccccc2c1OC.[W]
InChIInChI=1S/C16H18NO3.W/c1-17-12(10-18)8-11-9-15(19-2)13-6-4-5-7-14(13)16(11)20-3;/h4-7,9,12,17H,8H2,1-3H3;/q-1;
InChIKeyIHPOLTNIZFBEAP-UHFFFAOYSA-N
MW456.16 g/mol
LogP2.09
Rot. Bonds6

About 3-(1,4-dimethoxynaphthalen-2-yl)-2-(methylamino)propan-1-one;tungsten

3-(1,4-dimethoxynaphthalen-2-yl)-2-(methylamino)propan-1-one;tungsten (PubChem CID 59623856) has the molecular formula C16H18NO3W- and a molecular weight of 456.16 g/mol. Its IUPAC name is 3-(1,4-dimethoxynaphthalen-2-yl)-2-(methylamino)propan-1-one;tungsten.

Molecular Properties

Compound Name3-(1,4-dimethoxynaphthalen-2-yl)-2-(methylamino)propan-1-one;tungsten
PubChem CID59623856
Molecular FormulaC16H18NO3W-
Molecular Weight456.16 g/mol
Exact Mass456.08
IUPAC Name3-(1,4-dimethoxynaphthalen-2-yl)-2-(methylamino)propan-1-one;tungsten
SMILESCNC([C-]=O)Cc1cc(OC)c2ccccc2c1OC.[W]
InChIInChI=1S/C16H18NO3.W/c1-17-12(10-18)8-11-9-15(19-2)13-6-4-5-7-14(13)16(11)20-3;/h4-7,9,12,17H,8H2,1-3H3;/q-1;
InChIKeyIHPOLTNIZFBEAP-UHFFFAOYSA-N
XLogP2.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.16
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1,4-dimethoxy-2-(methoxymethyl)naphthalene
CID 143782720
2-(2,2-dimethoxyethylsulfonylmethyl)-1,4-dimethoxynaphthalene
CID 101000982
(1,4-dimethoxynaphthalen-2-yl)methyl selenocyanate
CID 51040592
(1,4-dimethoxy-3-methylnaphthalen-2-yl)methanol;(1,4-dimethoxynaphthalen-2-yl)methanol
CID 160859326
2-[(4-chlorophenyl)methylideneamino]-3-(1,4-dimethoxynaphthalen-2-yl)propanenitrile
CID 50994489
(1,4-dimethoxy-3-methylsulfanylnaphthalen-2-yl)methanol;(1,4-dimethoxynaphthalen-2-yl)methanol
CID 159541099
1,4-dimethoxy-2-(2-methoxyphenyl)naphthalene
CID 161363992
[4-[[3-(hydroxymethyl)-4-methoxynaphthalen-1-yl]methyl]-1-methoxynaphthalen-2-yl]methanol
CID 10620308
2-naphthalen-2-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 55709663
1,4-dimethoxy-2-methylsulfinylnaphthalene
CID 139590661
N,N'-dimethyl-1-(3,4,5-trimethoxyphenyl)methanediamine
CID 116954412
1-(4-chloro-1-methoxynaphthalen-2-yl)propan-2-amine
CID 170891521

Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dimethoxynaphthalen-2-yl)-2-(methylamino)propan-1-one;tungsten?
The IUPAC name of 3-(1,4-dimethoxynaphthalen-2-yl)-2-(methylamino)propan-1-one;tungsten (CID 59623856) is 3-(1,4-dimethoxynaphthalen-2-yl)-2-(methylamino)propan-1-one;tungsten.
What is the SMILES notation for 3-(1,4-dimethoxynaphthalen-2-yl)-2-(methylamino)propan-1-one;tungsten?
The canonical SMILES for 3-(1,4-dimethoxynaphthalen-2-yl)-2-(methylamino)propan-1-one;tungsten is CNC([C-]=O)Cc1cc(OC)c2ccccc2c1OC.[W].
What is the InChIKey of 3-(1,4-dimethoxynaphthalen-2-yl)-2-(methylamino)propan-1-one;tungsten?
The InChIKey is IHPOLTNIZFBEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18NO3.W/c1-17-12(10-18)8-11-9-15(19-2)13-6-4-5-7-14(13)16(11)20-3;/h4-7,9,12,17H,8H2,1-3H3;/q-1;.
What are the key properties of 3-(1,4-dimethoxynaphthalen-2-yl)-2-(methylamino)propan-1-one;tungsten?
3-(1,4-dimethoxynaphthalen-2-yl)-2-(methylamino)propan-1-one;tungsten has a molecular weight of 456.16 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dimethoxynaphthalen-2-yl)-2-(methylamino)propan-1-one;tungsten is sourced from PubChem (CID 59623856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).