tert-butyl N-[2-(3-cyano-1-methylnaphthalen-2-yl)ethyl]carbamate

C19H22N2O2 — CID 142472857

IUPACtert-butyl N-[2-(3-cyano-1-methylnaphthalen-2-yl)ethyl]carbamate
SMILESCc1c(CCNC(=O)OC(C)(C)C)c(C#N)cc2ccccc12
InChIInChI=1S/C19H22N2O2/c1-13-16-8-6-5-7-14(16)11-15(12-20)17(13)9-10-21-18(22)23-19(2,3)4/h5-8,11H,9-10H2,1-4H3,(H,21,22)
InChIKeySHNZJQIDVRIARP-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.09
Rot. Bonds3

About tert-butyl N-[2-(3-cyano-1-methylnaphthalen-2-yl)ethyl]carbamate

tert-butyl N-[2-(3-cyano-1-methylnaphthalen-2-yl)ethyl]carbamate (PubChem CID 142472857) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is tert-butyl N-[2-(3-cyano-1-methylnaphthalen-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(3-cyano-1-methylnaphthalen-2-yl)ethyl]carbamate
PubChem CID142472857
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Nametert-butyl N-[2-(3-cyano-1-methylnaphthalen-2-yl)ethyl]carbamate
SMILESCc1c(CCNC(=O)OC(C)(C)C)c(C#N)cc2ccccc12
InChIInChI=1S/C19H22N2O2/c1-13-16-8-6-5-7-14(16)11-15(12-20)17(13)9-10-21-18(22)23-19(2,3)4/h5-8,11H,9-10H2,1-4H3,(H,21,22)
InChIKeySHNZJQIDVRIARP-UHFFFAOYSA-N
XLogP4.09
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[2-(6-methoxy-4-methyl-1-benzofuran-5-yl)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(3-cyano-1-methylnaphthalen-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(3-cyano-1-methylnaphthalen-2-yl)ethyl]carbamate (CID 142472857) is tert-butyl N-[2-(3-cyano-1-methylnaphthalen-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(3-cyano-1-methylnaphthalen-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(3-cyano-1-methylnaphthalen-2-yl)ethyl]carbamate is Cc1c(CCNC(=O)OC(C)(C)C)c(C#N)cc2ccccc12.
What is the InChIKey of tert-butyl N-[2-(3-cyano-1-methylnaphthalen-2-yl)ethyl]carbamate?
The InChIKey is SHNZJQIDVRIARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-13-16-8-6-5-7-14(16)11-15(12-20)17(13)9-10-21-18(22)23-19(2,3)4/h5-8,11H,9-10H2,1-4H3,(H,21,22).
What are the key properties of tert-butyl N-[2-(3-cyano-1-methylnaphthalen-2-yl)ethyl]carbamate?
tert-butyl N-[2-(3-cyano-1-methylnaphthalen-2-yl)ethyl]carbamate has a molecular weight of 310.40 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(3-cyano-1-methylnaphthalen-2-yl)ethyl]carbamate is sourced from PubChem (CID 142472857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).