tert-butyl N-[2-(1-ethylnaphthalen-2-yl)oxyethyl]carbamate

C19H25NO3 — CID 86709756

IUPACtert-butyl N-[2-(1-ethylnaphthalen-2-yl)oxyethyl]carbamate
SMILESCCc1c(OCCNC(=O)OC(C)(C)C)ccc2ccccc12
InChIInChI=1S/C19H25NO3/c1-5-15-16-9-7-6-8-14(16)10-11-17(15)22-13-12-20-18(21)23-19(2,3)4/h6-11H,5,12-13H2,1-4H3,(H,20,21)
InChIKeyGEYXXHLDGWYCPI-UHFFFAOYSA-N
MW315.41 g/mol
LogP4.31
Rot. Bonds5

About tert-butyl N-[2-(1-ethylnaphthalen-2-yl)oxyethyl]carbamate

tert-butyl N-[2-(1-ethylnaphthalen-2-yl)oxyethyl]carbamate (PubChem CID 86709756) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is tert-butyl N-[2-(1-ethylnaphthalen-2-yl)oxyethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-ethylnaphthalen-2-yl)oxyethyl]carbamate
PubChem CID86709756
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Nametert-butyl N-[2-(1-ethylnaphthalen-2-yl)oxyethyl]carbamate
SMILESCCc1c(OCCNC(=O)OC(C)(C)C)ccc2ccccc12
InChIInChI=1S/C19H25NO3/c1-5-15-16-9-7-6-8-14(16)10-11-17(15)22-13-12-20-18(21)23-19(2,3)4/h6-11H,5,12-13H2,1-4H3,(H,20,21)
InChIKeyGEYXXHLDGWYCPI-UHFFFAOYSA-N
XLogP4.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(2-fluorophenoxy)ethyl]carbamate
CID 54333211
1-ethyl-2-propoxynaphthalene
CID 129259410
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CID 169468647
tert-butyl N-[2-[4-bromo-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]phenoxy]ethyl]carbamate
CID 170106812
tert-butyl N-[2-[(2,6-dimethyl-3-pyridinyl)oxy]ethyl]carbamate;ethane
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tert-butyl N-[3-[2-(2-methoxyphenoxy)ethylamino]-3-oxopropyl]carbamate
CID 38455025
tert-butyl N-[2-(1-ethenylnaphthalen-2-yl)ethyl]carbamate
CID 142472908
tert-butyl N-[2-[2-[(E)-2-pyridin-4-ylethenyl]phenoxy]ethyl]carbamate
CID 53238550
tert-butyl N-[2-[6,7-bis(hydroxymethyl)naphthalen-2-yl]oxyethyl]carbamate
CID 122667217
tert-butyl N-[2-(2-bromo-3-formylphenoxy)ethyl]carbamate
CID 156905544
tert-butyl N-[2-[3-(2-aminoethoxy)phenoxy]ethyl]carbamate
CID 156819756
tert-butyl N-[2-(4-fluoro-2-formylphenoxy)ethyl]carbamate
CID 118265568

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-ethylnaphthalen-2-yl)oxyethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-ethylnaphthalen-2-yl)oxyethyl]carbamate (CID 86709756) is tert-butyl N-[2-(1-ethylnaphthalen-2-yl)oxyethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-ethylnaphthalen-2-yl)oxyethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-ethylnaphthalen-2-yl)oxyethyl]carbamate is CCc1c(OCCNC(=O)OC(C)(C)C)ccc2ccccc12.
What is the InChIKey of tert-butyl N-[2-(1-ethylnaphthalen-2-yl)oxyethyl]carbamate?
The InChIKey is GEYXXHLDGWYCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c1-5-15-16-9-7-6-8-14(16)10-11-17(15)22-13-12-20-18(21)23-19(2,3)4/h6-11H,5,12-13H2,1-4H3,(H,20,21).
What are the key properties of tert-butyl N-[2-(1-ethylnaphthalen-2-yl)oxyethyl]carbamate?
tert-butyl N-[2-(1-ethylnaphthalen-2-yl)oxyethyl]carbamate has a molecular weight of 315.41 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-ethylnaphthalen-2-yl)oxyethyl]carbamate is sourced from PubChem (CID 86709756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).