(7-methoxynaphthalen-2-yl) N-tert-butylcarbamate

C16H19NO3 — CID 174705376

IUPAC(7-methoxynaphthalen-2-yl) N-tert-butylcarbamate
SMILESCOc1ccc2ccc(OC(=O)NC(C)(C)C)cc2c1
InChIInChI=1S/C16H19NO3/c1-16(2,3)17-15(18)20-14-8-6-11-5-7-13(19-4)9-12(11)10-14/h5-10H,1-4H3,(H,17,18)
InChIKeyUAOCLLZFDTZCHS-UHFFFAOYSA-N
MW273.33 g/mol
LogP3.74
Rot. Bonds2

About (7-methoxynaphthalen-2-yl) N-tert-butylcarbamate

(7-methoxynaphthalen-2-yl) N-tert-butylcarbamate (PubChem CID 174705376) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is (7-methoxynaphthalen-2-yl) N-tert-butylcarbamate.

Molecular Properties

Compound Name(7-methoxynaphthalen-2-yl) N-tert-butylcarbamate
PubChem CID174705376
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name(7-methoxynaphthalen-2-yl) N-tert-butylcarbamate
SMILESCOc1ccc2ccc(OC(=O)NC(C)(C)C)cc2c1
InChIInChI=1S/C16H19NO3/c1-16(2,3)17-15(18)20-14-8-6-11-5-7-13(19-4)9-12(11)10-14/h5-10H,1-4H3,(H,17,18)
InChIKeyUAOCLLZFDTZCHS-UHFFFAOYSA-N
XLogP3.74
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-hydroxynaphthalen-2-yl) N-tert-butylcarbamate
CID 91617195
[3-tert-butyl-4-methoxy-5-(6-methoxynaphthalen-2-yl)phenyl] N-tert-butylcarbamate
CID 57471684
(4-hydroxyphenyl) N-tert-butylcarbamate
CID 19747177
(3-amino-4-methylphenyl) N-tert-butylcarbamate
CID 68878688
5,6,7,8-tetrahydronaphthalen-2-yl N-tert-butylcarbamate
CID 11311209
(7-methoxynaphthalen-2-yl) cyclohexanecarboxylate
CID 60592496
(7-methoxynaphthalen-2-yl) 4-acetylbenzoate
CID 58800516
(3,5-dichlorophenyl) N-tert-butylcarbamate
CID 174575887
2-hydroperoxy-7-methoxynaphthalene
CID 142950271
methyl 2-(7-methoxynaphthalen-2-yl)oxyacetate
CID 156858982
(2,4-dimethoxynaphthalen-1-yl) N-tert-butylcarbamate
CID 19872900
1-tert-butyl-3-(4-methoxyphenyl)urea
CID 6457975

Frequently Asked Questions

What is the IUPAC name of (7-methoxynaphthalen-2-yl) N-tert-butylcarbamate?
The IUPAC name of (7-methoxynaphthalen-2-yl) N-tert-butylcarbamate (CID 174705376) is (7-methoxynaphthalen-2-yl) N-tert-butylcarbamate.
What is the SMILES notation for (7-methoxynaphthalen-2-yl) N-tert-butylcarbamate?
The canonical SMILES for (7-methoxynaphthalen-2-yl) N-tert-butylcarbamate is COc1ccc2ccc(OC(=O)NC(C)(C)C)cc2c1.
What is the InChIKey of (7-methoxynaphthalen-2-yl) N-tert-butylcarbamate?
The InChIKey is UAOCLLZFDTZCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-16(2,3)17-15(18)20-14-8-6-11-5-7-13(19-4)9-12(11)10-14/h5-10H,1-4H3,(H,17,18).
What are the key properties of (7-methoxynaphthalen-2-yl) N-tert-butylcarbamate?
(7-methoxynaphthalen-2-yl) N-tert-butylcarbamate has a molecular weight of 273.33 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methoxynaphthalen-2-yl) N-tert-butylcarbamate is sourced from PubChem (CID 174705376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).