benzyl N-(2-tert-butyl-5-methoxy-4-pyridinyl)carbamate

C18H22N2O3 — CID 91489110

IUPACbenzyl N-(2-tert-butyl-5-methoxy-4-pyridinyl)carbamate
SMILESCOc1cnc(C(C)(C)C)cc1NC(=O)OCc1ccccc1
InChIInChI=1S/C18H22N2O3/c1-18(2,3)16-10-14(15(22-4)11-19-16)20-17(21)23-12-13-8-6-5-7-9-13/h5-11H,12H2,1-4H3,(H,19,20,21)
InChIKeyCJTBVCFUTDKGAE-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.14
Rot. Bonds4

About benzyl N-(2-tert-butyl-5-methoxy-4-pyridinyl)carbamate

benzyl N-(2-tert-butyl-5-methoxy-4-pyridinyl)carbamate (PubChem CID 91489110) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is benzyl N-(2-tert-butyl-5-methoxy-4-pyridinyl)carbamate.

Molecular Properties

Compound Namebenzyl N-(2-tert-butyl-5-methoxy-4-pyridinyl)carbamate
PubChem CID91489110
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Namebenzyl N-(2-tert-butyl-5-methoxy-4-pyridinyl)carbamate
SMILESCOc1cnc(C(C)(C)C)cc1NC(=O)OCc1ccccc1
InChIInChI=1S/C18H22N2O3/c1-18(2,3)16-10-14(15(22-4)11-19-16)20-17(21)23-12-13-8-6-5-7-9-13/h5-11H,12H2,1-4H3,(H,19,20,21)
InChIKeyCJTBVCFUTDKGAE-UHFFFAOYSA-N
XLogP4.14
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[5-(hydroxyamino)-2-methoxyphenyl]carbamate
CID 142143785
benzyl N-[3-tert-butyl-5-methoxy-2-(methoxymethoxy)phenyl]carbamate
CID 139748839
benzyl N-(4-bromo-2,6-dimethoxyphenyl)carbamate
CID 22933103
benzyl N-(4-carbamoyl-2-chloro-5-methoxyphenyl)carbamate
CID 173319571
benzyl N-(4-amino-3-methoxyphenyl)carbamate
CID 154476991
benzyl N-(7-methoxy-4-oxo-1H-quinolin-6-yl)carbamate
CID 58931364
benzyl N-(2-bromo-5-methylphenyl)carbamate
CID 130581055
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
benzyl N-(2-ethyl-5-methylphenyl)carbamate
CID 174585145
benzyl N-(3-methyl-4-pyridinyl)carbamate
CID 130580947
benzyl N-(3-methoxynaphthalen-1-yl)carbamate
CID 23023062
benzyl N-(2-methyl-6-oxo-1H-pyrimidin-5-yl)carbamate
CID 11161253

Frequently Asked Questions

What is the IUPAC name of benzyl N-(2-tert-butyl-5-methoxy-4-pyridinyl)carbamate?
The IUPAC name of benzyl N-(2-tert-butyl-5-methoxy-4-pyridinyl)carbamate (CID 91489110) is benzyl N-(2-tert-butyl-5-methoxy-4-pyridinyl)carbamate.
What is the SMILES notation for benzyl N-(2-tert-butyl-5-methoxy-4-pyridinyl)carbamate?
The canonical SMILES for benzyl N-(2-tert-butyl-5-methoxy-4-pyridinyl)carbamate is COc1cnc(C(C)(C)C)cc1NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-(2-tert-butyl-5-methoxy-4-pyridinyl)carbamate?
The InChIKey is CJTBVCFUTDKGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-18(2,3)16-10-14(15(22-4)11-19-16)20-17(21)23-12-13-8-6-5-7-9-13/h5-11H,12H2,1-4H3,(H,19,20,21).
What are the key properties of benzyl N-(2-tert-butyl-5-methoxy-4-pyridinyl)carbamate?
benzyl N-(2-tert-butyl-5-methoxy-4-pyridinyl)carbamate has a molecular weight of 314.38 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-(2-tert-butyl-5-methoxy-4-pyridinyl)carbamate is sourced from PubChem (CID 91489110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).