1,2-dihydronaphthalen-2-ylmethyl N-phenylcarbamate

C18H17NO2 — CID 165348255

IUPAC1,2-dihydronaphthalen-2-ylmethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCC1C=Cc2ccccc2C1
InChIInChI=1S/C18H17NO2/c20-18(19-17-8-2-1-3-9-17)21-13-14-10-11-15-6-4-5-7-16(15)12-14/h1-11,14H,12-13H2,(H,19,20)
InChIKeyHKRMATUZYHZVDC-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.12
Rot. Bonds3

About 1,2-dihydronaphthalen-2-ylmethyl N-phenylcarbamate

1,2-dihydronaphthalen-2-ylmethyl N-phenylcarbamate (PubChem CID 165348255) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1,2-dihydronaphthalen-2-ylmethyl N-phenylcarbamate.

Molecular Properties

Compound Name1,2-dihydronaphthalen-2-ylmethyl N-phenylcarbamate
PubChem CID165348255
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name1,2-dihydronaphthalen-2-ylmethyl N-phenylcarbamate
SMILESO=C(Nc1ccccc1)OCC1C=Cc2ccccc2C1
InChIInChI=1S/C18H17NO2/c20-18(19-17-8-2-1-3-9-17)21-13-14-10-11-15-6-4-5-7-16(15)12-14/h1-11,14H,12-13H2,(H,19,20)
InChIKeyHKRMATUZYHZVDC-UHFFFAOYSA-N
XLogP4.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-oxo-2H-furan-2-yl)methyl N-phenylcarbamate
CID 12706673
(5-oxopyrrolidin-3-yl)methyl N-phenylcarbamate
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benzene;5-carbamoyloxypentyl N-phenylcarbamate
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dodecyl N-phenylcarbamate
CID 521818
[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl N-phenylcarbamate
CID 98115390
2-(1,2-dihydronaphthalen-2-yl)-1,2-dihydronaphthalene
CID 71322997
2-[2-(phenylcarbamoyloxy)ethoxy]ethyl N-phenylcarbamate
CID 4644419
molecular hydrogen;oxolan-2-ylmethyl N-phenylcarbamate
CID 143703074
(1,2-dimethylpyrazolidin-3-yl)methyl N-phenylcarbamate
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piperidin-3-ylmethyl N-phenylcarbamate
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[(E)-16-(phenylcarbamoyloxy)hexadec-8-enyl] N-phenylcarbamate
CID 134983552

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydronaphthalen-2-ylmethyl N-phenylcarbamate?
The IUPAC name of 1,2-dihydronaphthalen-2-ylmethyl N-phenylcarbamate (CID 165348255) is 1,2-dihydronaphthalen-2-ylmethyl N-phenylcarbamate.
What is the SMILES notation for 1,2-dihydronaphthalen-2-ylmethyl N-phenylcarbamate?
The canonical SMILES for 1,2-dihydronaphthalen-2-ylmethyl N-phenylcarbamate is O=C(Nc1ccccc1)OCC1C=Cc2ccccc2C1.
What is the InChIKey of 1,2-dihydronaphthalen-2-ylmethyl N-phenylcarbamate?
The InChIKey is HKRMATUZYHZVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c20-18(19-17-8-2-1-3-9-17)21-13-14-10-11-15-6-4-5-7-16(15)12-14/h1-11,14H,12-13H2,(H,19,20).
What are the key properties of 1,2-dihydronaphthalen-2-ylmethyl N-phenylcarbamate?
1,2-dihydronaphthalen-2-ylmethyl N-phenylcarbamate has a molecular weight of 279.34 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydronaphthalen-2-ylmethyl N-phenylcarbamate is sourced from PubChem (CID 165348255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).