tert-butyl N-[7-bromo-2-(methoxymethyl)naphthalen-1-yl]carbamate

C17H20BrNO3 — CID 162527661

IUPACtert-butyl N-[7-bromo-2-(methoxymethyl)naphthalen-1-yl]carbamate
SMILESCOCc1ccc2ccc(Br)cc2c1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H20BrNO3/c1-17(2,3)22-16(20)19-15-12(10-21-4)6-5-11-7-8-13(18)9-14(11)15/h5-9H,10H2,1-4H3,(H,19,20)
InChIKeyGZJGKVLYOZAJPS-UHFFFAOYSA-N
MW366.26 g/mol
LogP5.10
Rot. Bonds3

About tert-butyl N-[7-bromo-2-(methoxymethyl)naphthalen-1-yl]carbamate

tert-butyl N-[7-bromo-2-(methoxymethyl)naphthalen-1-yl]carbamate (PubChem CID 162527661) has the molecular formula C17H20BrNO3 and a molecular weight of 366.26 g/mol. Its IUPAC name is tert-butyl N-[7-bromo-2-(methoxymethyl)naphthalen-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[7-bromo-2-(methoxymethyl)naphthalen-1-yl]carbamate
PubChem CID162527661
Molecular FormulaC17H20BrNO3
Molecular Weight366.26 g/mol
Exact Mass365.06
IUPAC Nametert-butyl N-[7-bromo-2-(methoxymethyl)naphthalen-1-yl]carbamate
SMILESCOCc1ccc2ccc(Br)cc2c1NC(=O)OC(C)(C)C
InChIInChI=1S/C17H20BrNO3/c1-17(2,3)22-16(20)19-15-12(10-21-4)6-5-11-7-8-13(18)9-14(11)15/h5-9H,10H2,1-4H3,(H,19,20)
InChIKeyGZJGKVLYOZAJPS-UHFFFAOYSA-N
XLogP5.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.26
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[7-bromo-2-(methoxymethyl)naphthalen-1-yl]-2-cyanoprop-2-enyl]carbamate
CID 162527171
tert-butyl N-(6-bromo-1H-indol-2-yl)carbamate
CID 155039795
tert-butyl N-(5-bromo-2-methoxyphenyl)carbamate;propane
CID 144536105
tert-butyl N-(4-bromo-2-nitrosophenyl)carbamate
CID 147354820
tert-butyl N-[2-(bromomethyl)-5-hydroxyphenyl]carbamate
CID 117236595
methyl 2-[4-bromo-2-(methoxymethyl)phenyl]acetate
CID 141482176
tert-butyl N-(7-hydroxynaphthalen-2-yl)carbamate
CID 59683245
tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
CID 22736228
tert-butyl N-(7-bromo-2-methylquinazolin-4-yl)carbamate
CID 164517252
tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 65143138
2-[3-bromo-2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 165494210
ditert-butyl 2-bromo-5-(methoxymethyl)benzene-1,4-dicarboxylate
CID 156759792

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[7-bromo-2-(methoxymethyl)naphthalen-1-yl]carbamate?
The IUPAC name of tert-butyl N-[7-bromo-2-(methoxymethyl)naphthalen-1-yl]carbamate (CID 162527661) is tert-butyl N-[7-bromo-2-(methoxymethyl)naphthalen-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[7-bromo-2-(methoxymethyl)naphthalen-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[7-bromo-2-(methoxymethyl)naphthalen-1-yl]carbamate is COCc1ccc2ccc(Br)cc2c1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[7-bromo-2-(methoxymethyl)naphthalen-1-yl]carbamate?
The InChIKey is GZJGKVLYOZAJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO3/c1-17(2,3)22-16(20)19-15-12(10-21-4)6-5-11-7-8-13(18)9-14(11)15/h5-9H,10H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl N-[7-bromo-2-(methoxymethyl)naphthalen-1-yl]carbamate?
tert-butyl N-[7-bromo-2-(methoxymethyl)naphthalen-1-yl]carbamate has a molecular weight of 366.26 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[7-bromo-2-(methoxymethyl)naphthalen-1-yl]carbamate is sourced from PubChem (CID 162527661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).