tert-butyl N-(1H-imidazol-2-ylmethyl)-N-(naphthalen-1-ylmethyl)carbamate

C20H23N3O2 — CID 141041485

IUPACtert-butyl N-(1H-imidazol-2-ylmethyl)-N-(naphthalen-1-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ncc[nH]1)Cc1cccc2ccccc12
InChIInChI=1S/C20H23N3O2/c1-20(2,3)25-19(24)23(14-18-21-11-12-22-18)13-16-9-6-8-15-7-4-5-10-17(15)16/h4-12H,13-14H2,1-3H3,(H,21,22)
InChIKeyOBRGMRMFKFNRRZ-UHFFFAOYSA-N
MW337.42 g/mol
LogP4.50
Rot. Bonds4

About tert-butyl N-(1H-imidazol-2-ylmethyl)-N-(naphthalen-1-ylmethyl)carbamate

tert-butyl N-(1H-imidazol-2-ylmethyl)-N-(naphthalen-1-ylmethyl)carbamate (PubChem CID 141041485) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is tert-butyl N-(1H-imidazol-2-ylmethyl)-N-(naphthalen-1-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1H-imidazol-2-ylmethyl)-N-(naphthalen-1-ylmethyl)carbamate
PubChem CID141041485
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Nametert-butyl N-(1H-imidazol-2-ylmethyl)-N-(naphthalen-1-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)N(Cc1ncc[nH]1)Cc1cccc2ccccc12
InChIInChI=1S/C20H23N3O2/c1-20(2,3)25-19(24)23(14-18-21-11-12-22-18)13-16-9-6-8-15-7-4-5-10-17(15)16/h4-12H,13-14H2,1-3H3,(H,21,22)
InChIKeyOBRGMRMFKFNRRZ-UHFFFAOYSA-N
XLogP4.50
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1H-imidazol-2-ylmethyl)-N-(naphthalen-1-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(1H-imidazol-2-ylmethyl)-N-(naphthalen-1-ylmethyl)carbamate (CID 141041485) is tert-butyl N-(1H-imidazol-2-ylmethyl)-N-(naphthalen-1-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(1H-imidazol-2-ylmethyl)-N-(naphthalen-1-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(1H-imidazol-2-ylmethyl)-N-(naphthalen-1-ylmethyl)carbamate is CC(C)(C)OC(=O)N(Cc1ncc[nH]1)Cc1cccc2ccccc12.
What is the InChIKey of tert-butyl N-(1H-imidazol-2-ylmethyl)-N-(naphthalen-1-ylmethyl)carbamate?
The InChIKey is OBRGMRMFKFNRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-20(2,3)25-19(24)23(14-18-21-11-12-22-18)13-16-9-6-8-15-7-4-5-10-17(15)16/h4-12H,13-14H2,1-3H3,(H,21,22).
What are the key properties of tert-butyl N-(1H-imidazol-2-ylmethyl)-N-(naphthalen-1-ylmethyl)carbamate?
tert-butyl N-(1H-imidazol-2-ylmethyl)-N-(naphthalen-1-ylmethyl)carbamate has a molecular weight of 337.42 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1H-imidazol-2-ylmethyl)-N-(naphthalen-1-ylmethyl)carbamate is sourced from PubChem (CID 141041485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).