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

C25H34N4O2 — CID 11441615

IUPAC3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,N,2,2-tetramethylpropanamide
SMILESCC(C(c1ccc2cc(OCC(C)(C)C(=O)N(C)C)ccc2c1)n1ccnc1)N(C)C
InChIInChI=1S/C25H34N4O2/c1-18(27(4)5)23(29-13-12-26-17-29)21-9-8-20-15-22(11-10-19(20)14-21)31-16-25(2,3)24(30)28(6)7/h8-15,17-18,23H,16H2,1-7H3
InChIKeyRSDPLFJFCIEHAP-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.07
Rot. Bonds8

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

3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,N,2,2-tetramethylpropanamide (PubChem CID 11441615) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,N,2,2-tetramethylpropanamide.

Molecular Properties

Compound Name3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,N,2,2-tetramethylpropanamide
PubChem CID11441615
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,N,2,2-tetramethylpropanamide
SMILESCC(C(c1ccc2cc(OCC(C)(C)C(=O)N(C)C)ccc2c1)n1ccnc1)N(C)C
InChIInChI=1S/C25H34N4O2/c1-18(27(4)5)23(29-13-12-26-17-29)21-9-8-20-15-22(11-10-19(20)14-21)31-16-25(2,3)24(30)28(6)7/h8-15,17-18,23H,16H2,1-7H3
InChIKeyRSDPLFJFCIEHAP-UHFFFAOYSA-N
XLogP4.07
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,N,2,2-tetramethylpropanamide?
The IUPAC name of 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,N,2,2-tetramethylpropanamide (CID 11441615) is 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,N,2,2-tetramethylpropanamide.
What is the SMILES notation for 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,N,2,2-tetramethylpropanamide?
The canonical SMILES for 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,N,2,2-tetramethylpropanamide is CC(C(c1ccc2cc(OCC(C)(C)C(=O)N(C)C)ccc2c1)n1ccnc1)N(C)C.
What is the InChIKey of 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,N,2,2-tetramethylpropanamide?
The InChIKey is RSDPLFJFCIEHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-18(27(4)5)23(29-13-12-26-17-29)21-9-8-20-15-22(11-10-19(20)14-21)31-16-25(2,3)24(30)28(6)7/h8-15,17-18,23H,16H2,1-7H3.
What are the key properties of 3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,N,2,2-tetramethylpropanamide?
3-[6-[2-(dimethylamino)-1-imidazol-1-ylpropyl]naphthalen-2-yl]oxy-N,N,2,2-tetramethylpropanamide has a molecular weight of 422.57 g/mol, XLogP of 4.07, 8 rotatable bonds, 0 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,N,2,2-tetramethylpropanamide is sourced from PubChem (CID 11441615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).