benzyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate

C18H19NO2 — CID 91450815

IUPACbenzyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate
SMILESO=C(Nc1cccc2c1CCCC2)OCc1ccccc1
InChIInChI=1S/C18H19NO2/c20-18(21-13-14-7-2-1-3-8-14)19-17-12-6-10-15-9-4-5-11-16(15)17/h1-3,6-8,10,12H,4-5,9,11,13H2,(H,19,20)
InChIKeyPOZWMLJBOCOQGB-UHFFFAOYSA-N
MW281.36 g/mol
LogP4.31
Rot. Bonds3

About benzyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate

benzyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate (PubChem CID 91450815) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is benzyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate
PubChem CID91450815
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Namebenzyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate
SMILESO=C(Nc1cccc2c1CCCC2)OCc1ccccc1
InChIInChI=1S/C18H19NO2/c20-18(21-13-14-7-2-1-3-8-14)19-17-12-6-10-15-9-4-5-11-16(15)17/h1-3,6-8,10,12H,4-5,9,11,13H2,(H,19,20)
InChIKeyPOZWMLJBOCOQGB-UHFFFAOYSA-N
XLogP4.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl N-(2,3-dihydro-1H-inden-4-yl)carbamate
CID 90481970
2-amino-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 24708933
2-(4-hydroxyphenyl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 78838548
benzyl N-(2-bromophenyl)carbamate
CID 4935706
benzyl N-(2-iodophenyl)carbamate
CID 10959121
3-benzylsulfanyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)propanamide
CID 8797217
benzyl N-(2-fluoro-3-hydroxyphenyl)carbamate
CID 125116618
benzyl N-[2-(1-aminocyclopropyl)phenyl]carbamate
CID 141316548
2-methoxy-N-(5,6,7,8-tetrahydronaphthalen-1-yl)acetamide
CID 17386781
5-oxo-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pentanoic acid
CID 17435174
2-(5,6,7,8-tetrahydronaphthalen-1-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60791578
benzyl N-[2-(hydroxycarbamoyl)-3,4-dihydro-2H-chromen-8-yl]carbamate
CID 163392661

Frequently Asked Questions

What is the IUPAC name of benzyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate?
The IUPAC name of benzyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate (CID 91450815) is benzyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate.
What is the SMILES notation for benzyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate?
The canonical SMILES for benzyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate is O=C(Nc1cccc2c1CCCC2)OCc1ccccc1.
What is the InChIKey of benzyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate?
The InChIKey is POZWMLJBOCOQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c20-18(21-13-14-7-2-1-3-8-14)19-17-12-6-10-15-9-4-5-11-16(15)17/h1-3,6-8,10,12H,4-5,9,11,13H2,(H,19,20).
What are the key properties of benzyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate?
benzyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate has a molecular weight of 281.36 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(5,6,7,8-tetrahydronaphthalen-1-yl)carbamate is sourced from PubChem (CID 91450815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).