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

C23H30N4O2 — CID 11406760

IUPAC3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-2,2-dimethylpropanamide
SMILESCC(C(c1ccc2cc(OCC(C)(C)C(N)=O)ccc2c1)n1ccnc1)N(C)C
InChIInChI=1S/C23H30N4O2/c1-16(26(4)5)21(27-11-10-25-15-27)19-7-6-18-13-20(9-8-17(18)12-19)29-14-23(2,3)22(24)28/h6-13,15-16,21H,14H2,1-5H3,(H2,24,28)
InChIKeyOZXGHWIQASWJQX-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.47
Rot. Bonds8

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

3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-2,2-dimethylpropanamide (PubChem CID 11406760) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-2,2-dimethylpropanamide
PubChem CID11406760
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-2,2-dimethylpropanamide
SMILESCC(C(c1ccc2cc(OCC(C)(C)C(N)=O)ccc2c1)n1ccnc1)N(C)C
InChIInChI=1S/C23H30N4O2/c1-16(26(4)5)21(27-11-10-25-15-27)19-7-6-18-13-20(9-8-17(18)12-19)29-14-23(2,3)22(24)28/h6-13,15-16,21H,14H2,1-5H3,(H2,24,28)
InChIKeyOZXGHWIQASWJQX-UHFFFAOYSA-N
XLogP3.47
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-2,2-dimethylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Acrylic acid derivative, 12
CID 10294289
N-[[4-cyano-2-(3-ethoxyphenyl)phenyl]methyl]-N-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methyl]acetamide
CID 44394915
3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naphthalen-2-yloxymethyl]-benzoic acid
CID 11235737
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,N,N-tetramethyl-propionamide
CID 11441615
3-[6-(2-Dimethylamino-1-imidazol-1-yl-propyl)-naphthalen-2-yloxy]-2,2,N-trimethyl-propionamide
CID 11475327
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

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-2,2-dimethylpropanamide?
The IUPAC name of 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-2,2-dimethylpropanamide (CID 11406760) is 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-2,2-dimethylpropanamide.
What is the SMILES notation for 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-2,2-dimethylpropanamide?
The canonical SMILES for 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-2,2-dimethylpropanamide is CC(C(c1ccc2cc(OCC(C)(C)C(N)=O)ccc2c1)n1ccnc1)N(C)C.
What is the InChIKey of 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-2,2-dimethylpropanamide?
The InChIKey is OZXGHWIQASWJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-16(26(4)5)21(27-11-10-25-15-27)19-7-6-18-13-20(9-8-17(18)12-19)29-14-23(2,3)22(24)28/h6-13,15-16,21H,14H2,1-5H3,(H2,24,28).
What are the key properties of 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-2,2-dimethylpropanamide?
3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-2,2-dimethylpropanamide has a molecular weight of 394.52 g/mol, XLogP of 3.47, 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-2,2-dimethylpropanamide is sourced from PubChem (CID 11406760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).