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Tert-butyl N-methyl-N-(3-methyl-5-naphthalen-2-ylphenyl)carbamate

C23H25NO2 — CID 159361454

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACtert-butyl N-methyl-N-(3-methyl-5-naphthalen-2-ylphenyl)carbamate
SMILESCc1cc(-c2ccc3ccccc3c2)cc(N(C)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C23H25NO2/c1-16-12-20(19-11-10-17-8-6-7-9-18(17)14-19)15-21(13-16)24(5)22(25)26-23(2,3)4/h6-15H,1-5H3
InChIKeyLIPBYWWMIDBMQM-UHFFFAOYSA-N
MW347.46 g/mol
LogP6.19
Rot. Bonds2

About Tert-butyl N-methyl-N-(3-methyl-5-naphthalen-2-ylphenyl)carbamate

Tert-butyl N-methyl-N-(3-methyl-5-naphthalen-2-ylphenyl)carbamate (PubChem CID 159361454) has the molecular formula C23H25NO2 and a molecular weight of 347.46 g/mol. Its IUPAC name is tert-butyl N-methyl-N-(3-methyl-5-naphthalen-2-ylphenyl)carbamate.

Molecular Properties

Compound NameTert-butyl N-methyl-N-(3-methyl-5-naphthalen-2-ylphenyl)carbamate
PubChem CID159361454
Molecular FormulaC23H25NO2
Molecular Weight347.46 g/mol
Exact Mass347.19
IUPAC Nametert-butyl N-methyl-N-(3-methyl-5-naphthalen-2-ylphenyl)carbamate
SMILESCc1cc(-c2ccc3ccccc3c2)cc(N(C)C(=O)OC(C)(C)C)c1
InChIInChI=1S/C23H25NO2/c1-16-12-20(19-11-10-17-8-6-7-9-18(17)14-19)15-21(13-16)24(5)22(25)26-23(2,3)4/h6-15H,1-5H3
InChIKeyLIPBYWWMIDBMQM-UHFFFAOYSA-N
XLogP6.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.46
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-methyl-N-(3-methyl-5-naphthalen-2-ylphenyl)carbamate?
The IUPAC name of Tert-butyl N-methyl-N-(3-methyl-5-naphthalen-2-ylphenyl)carbamate (CID 159361454) is tert-butyl N-methyl-N-(3-methyl-5-naphthalen-2-ylphenyl)carbamate.
What is the SMILES notation for Tert-butyl N-methyl-N-(3-methyl-5-naphthalen-2-ylphenyl)carbamate?
The canonical SMILES for Tert-butyl N-methyl-N-(3-methyl-5-naphthalen-2-ylphenyl)carbamate is Cc1cc(-c2ccc3ccccc3c2)cc(N(C)C(=O)OC(C)(C)C)c1.
What is the InChIKey of Tert-butyl N-methyl-N-(3-methyl-5-naphthalen-2-ylphenyl)carbamate?
The InChIKey is LIPBYWWMIDBMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO2/c1-16-12-20(19-11-10-17-8-6-7-9-18(17)14-19)15-21(13-16)24(5)22(25)26-23(2,3)4/h6-15H,1-5H3.
What are the key properties of Tert-butyl N-methyl-N-(3-methyl-5-naphthalen-2-ylphenyl)carbamate?
Tert-butyl N-methyl-N-(3-methyl-5-naphthalen-2-ylphenyl)carbamate has a molecular weight of 347.46 g/mol, XLogP of 6.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Tert-butyl N-methyl-N-(3-methyl-5-naphthalen-2-ylphenyl)carbamate is sourced from PubChem (CID 159361454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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