3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,2,2-trimethylpropanamide

C24H32N4O2 — CID 11475327

IUPAC3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)COc1ccc2cc(C(C(C)N(C)C)n3ccnc3)ccc2c1
InChIInChI=1S/C24H32N4O2/c1-17(27(5)6)22(28-12-11-26-16-28)20-8-7-19-14-21(10-9-18(19)13-20)30-15-24(2,3)23(29)25-4/h7-14,16-17,22H,15H2,1-6H3,(H,25,29)
InChIKeyLEDOEMLBTIQWQV-UHFFFAOYSA-N
MW408.55 g/mol
LogP3.73
Rot. Bonds8

About 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,2,2-trimethylpropanamide

3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,2,2-trimethylpropanamide (PubChem CID 11475327) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,2,2-trimethylpropanamide.

Molecular Properties

Compound Name3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,2,2-trimethylpropanamide
PubChem CID11475327
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,2,2-trimethylpropanamide
SMILESCNC(=O)C(C)(C)COc1ccc2cc(C(C(C)N(C)C)n3ccnc3)ccc2c1
InChIInChI=1S/C24H32N4O2/c1-17(27(5)6)22(28-12-11-26-16-28)20-8-7-19-14-21(10-9-18(19)13-20)30-15-24(2,3)23(29)25-4/h7-14,16-17,22H,15H2,1-6H3,(H,25,29)
InChIKeyLEDOEMLBTIQWQV-UHFFFAOYSA-N
XLogP3.73
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[6-(2-Dimethylamino-1-imidazol-1-yl-butyl)-naphthalen-2-yloxy]-2,2-dimethyl-propionic acid
CID 11315814
3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naphthalen-2-yloxy]-2,2-dimethyl-propionamide
CID 11406760
3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naphthalen-2-yloxy]-2,2,N,N-tetramethyl-propionamide
CID 11441615
4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naphthalen-2-yloxymethyl]-benzoic acid methyl ester
CID 11495962
3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naphthalen-2-yloxymethyl]-benzoic acid methyl ester
CID 11510548
4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naphthalen-2-yloxymethyl]-benzoic acid
CID 11750760
3-(6-(2-(dimethylamino)-1-(1H-imidazol-1-yl)propyl)naphthalen-2-yloxy)-2,2-dimethylpropanoic acid
CID 11773824
[2-(6-Benzyloxy-naphthalen-2-yl)-2-imidazol-1-yl-1-methyl-ethyl]-dimethyl-amine
CID 44390134
3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naphthalen-2-yloxy]-2,2-dimethyl-propionic acid
CID 44410799
{4-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naphthalen-2-yloxymethyl]-phenyl}-acetic acid
CID 11154980
{2-[6-(2,2-Dimethyl-propoxy)-naphthalen-2-yl]-2-imidazol-1-yl-1-methyl-ethyl}-dimethyl-amine
CID 11501485
{2-[6-(4-tert-Butoxy-benzyloxy)-naphthalen-2-yl]-2-imidazol-1-yl-1-methyl-ethyl}-dimethyl-amine
CID 11590652

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,2,2-trimethylpropanamide?
The IUPAC name of 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,2,2-trimethylpropanamide (CID 11475327) is 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,2,2-trimethylpropanamide.
What is the SMILES notation for 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,2,2-trimethylpropanamide?
The canonical SMILES for 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,2,2-trimethylpropanamide is CNC(=O)C(C)(C)COc1ccc2cc(C(C(C)N(C)C)n3ccnc3)ccc2c1.
What is the InChIKey of 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,2,2-trimethylpropanamide?
The InChIKey is LEDOEMLBTIQWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-17(27(5)6)22(28-12-11-26-16-28)20-8-7-19-14-21(10-9-18(19)13-20)30-15-24(2,3)23(29)25-4/h7-14,16-17,22H,15H2,1-6H3,(H,25,29).
What are the key properties of 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,2,2-trimethylpropanamide?
3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,2,2-trimethylpropanamide has a molecular weight of 408.55 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,2,2-trimethylpropanamide is sourced from PubChem (CID 11475327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).