2-methoxyethyl N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]carbamate

C21H25N3O3 — CID 25158772

IUPAC2-methoxyethyl N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]carbamate
SMILESCCN(C(=O)OCCOC)c1ccc2cccc(C(C)c3cnc[nH]3)c2c1
InChIInChI=1S/C21H25N3O3/c1-4-24(21(25)27-11-10-26-3)17-9-8-16-6-5-7-18(19(16)12-17)15(2)20-13-22-14-23-20/h5-9,12-15H,4,10-11H2,1-3H3,(H,22,23)
InChIKeyREKZZFFCTYCGCW-UHFFFAOYSA-N
MW367.45 g/mol
LogP4.32
Rot. Bonds7

About 2-methoxyethyl N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]carbamate

2-methoxyethyl N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]carbamate (PubChem CID 25158772) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-methoxyethyl N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]carbamate
PubChem CID25158772
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-methoxyethyl N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]carbamate
SMILESCCN(C(=O)OCCOC)c1ccc2cccc(C(C)c3cnc[nH]3)c2c1
InChIInChI=1S/C21H25N3O3/c1-4-24(21(25)27-11-10-26-3)17-9-8-16-6-5-7-18(19(16)12-17)15(2)20-13-22-14-23-20/h5-9,12-15H,4,10-11H2,1-3H3,(H,22,23)
InChIKeyREKZZFFCTYCGCW-UHFFFAOYSA-N
XLogP4.32
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]carbamate?
The IUPAC name of 2-methoxyethyl N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]carbamate (CID 25158772) is 2-methoxyethyl N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]carbamate.
What is the SMILES notation for 2-methoxyethyl N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]carbamate?
The canonical SMILES for 2-methoxyethyl N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]carbamate is CCN(C(=O)OCCOC)c1ccc2cccc(C(C)c3cnc[nH]3)c2c1.
What is the InChIKey of 2-methoxyethyl N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]carbamate?
The InChIKey is REKZZFFCTYCGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-4-24(21(25)27-11-10-26-3)17-9-8-16-6-5-7-18(19(16)12-17)15(2)20-13-22-14-23-20/h5-9,12-15H,4,10-11H2,1-3H3,(H,22,23).
What are the key properties of 2-methoxyethyl N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]carbamate?
2-methoxyethyl N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]carbamate has a molecular weight of 367.45 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-ethyl-N-[8-[1-(1H-imidazol-5-yl)ethyl]naphthalen-2-yl]carbamate is sourced from PubChem (CID 25158772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).