benzyl N-(6-oxo-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)carbamate

C18H19NO3 — CID 164982764

IUPACbenzyl N-(6-oxo-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)carbamate
SMILESO=C1C=CC2=C(CCC(NC(=O)OCc3ccccc3)C2)C1
InChIInChI=1S/C18H19NO3/c20-17-9-7-14-10-16(8-6-15(14)11-17)19-18(21)22-12-13-4-2-1-3-5-13/h1-5,7,9,16H,6,8,10-12H2,(H,19,21)
InChIKeyOFCZSGPMRDXXPN-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.29
Rot. Bonds3

About benzyl N-(6-oxo-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)carbamate

benzyl N-(6-oxo-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)carbamate (PubChem CID 164982764) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is benzyl N-(6-oxo-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(6-oxo-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)carbamate
PubChem CID164982764
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namebenzyl N-(6-oxo-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)carbamate
SMILESO=C1C=CC2=C(CCC(NC(=O)OCc3ccccc3)C2)C1
InChIInChI=1S/C18H19NO3/c20-17-9-7-14-10-16(8-6-15(14)11-17)19-18(21)22-12-13-4-2-1-3-5-13/h1-5,7,9,16H,6,8,10-12H2,(H,19,21)
InChIKeyOFCZSGPMRDXXPN-UHFFFAOYSA-N
XLogP3.29
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 102080822
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CID 138958096
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
benzyl N-(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamate
CID 11175233
benzyl N-cyclopent-3-en-1-ylcarbamate
CID 10751243
benzyl N-[(1S)-4-oxo-2-(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 68602701
benzyl N-[4-[[4-(phenylmethoxycarbonylamino)cyclohexyl]methyl]cyclohexyl]carbamate
CID 10345017
benzyl N-(4-iodocyclohexyl)carbamate
CID 66569099
benzyl N-(3-oxo-5,6,7,8-tetrahydro-2H-cinnolin-7-yl)carbamate
CID 70858785
benzyl N-(1-oxaspiro[2.5]octan-6-yl)carbamate
CID 15932630
benzyl N-(3-hydroxycyclohexyl)carbamate
CID 14476840

Frequently Asked Questions

What is the IUPAC name of benzyl N-(6-oxo-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)carbamate?
The IUPAC name of benzyl N-(6-oxo-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)carbamate (CID 164982764) is benzyl N-(6-oxo-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)carbamate.
What is the SMILES notation for benzyl N-(6-oxo-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)carbamate?
The canonical SMILES for benzyl N-(6-oxo-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)carbamate is O=C1C=CC2=C(CCC(NC(=O)OCc3ccccc3)C2)C1.
What is the InChIKey of benzyl N-(6-oxo-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)carbamate?
The InChIKey is OFCZSGPMRDXXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c20-17-9-7-14-10-16(8-6-15(14)11-17)19-18(21)22-12-13-4-2-1-3-5-13/h1-5,7,9,16H,6,8,10-12H2,(H,19,21).
What are the key properties of benzyl N-(6-oxo-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)carbamate?
benzyl N-(6-oxo-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)carbamate has a molecular weight of 297.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(6-oxo-2,3,4,5-tetrahydro-1H-naphthalen-2-yl)carbamate is sourced from PubChem (CID 164982764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).