phenyl N-(2-tert-butyl-6-methyl-4-pyridinyl)carbamate

C17H20N2O2 — CID 169322759

IUPACphenyl N-(2-tert-butyl-6-methyl-4-pyridinyl)carbamate
SMILESCc1cc(NC(=O)Oc2ccccc2)cc(C(C)(C)C)n1
InChIInChI=1S/C17H20N2O2/c1-12-10-13(11-15(18-12)17(2,3)4)19-16(20)21-14-8-6-5-7-9-14/h5-11H,1-4H3,(H,18,19,20)
InChIKeyAEQAQRKOYLLULC-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.30
Rot. Bonds2

About phenyl N-(2-tert-butyl-6-methyl-4-pyridinyl)carbamate

phenyl N-(2-tert-butyl-6-methyl-4-pyridinyl)carbamate (PubChem CID 169322759) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is phenyl N-(2-tert-butyl-6-methyl-4-pyridinyl)carbamate.

Molecular Properties

Compound Namephenyl N-(2-tert-butyl-6-methyl-4-pyridinyl)carbamate
PubChem CID169322759
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Namephenyl N-(2-tert-butyl-6-methyl-4-pyridinyl)carbamate
SMILESCc1cc(NC(=O)Oc2ccccc2)cc(C(C)(C)C)n1
InChIInChI=1S/C17H20N2O2/c1-12-10-13(11-15(18-12)17(2,3)4)19-16(20)21-14-8-6-5-7-9-14/h5-11H,1-4H3,(H,18,19,20)
InChIKeyAEQAQRKOYLLULC-UHFFFAOYSA-N
XLogP4.30
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-tert-butyl-5-(phenoxycarbonylamino)pyrazol-1-yl]acetic acid
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phenyl N-[3-tert-butyl-1-(2-methylphenyl)pyrazol-5-yl]carbamate
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phenyl N-[3-(1,1-difluoroethyl)-1,2-oxazol-5-yl]carbamate
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phenyl N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]carbamate
CID 168872990
phenyl N-[3-tert-butyl-5-(cyclopropylsulfanylamino)phenyl]carbamate
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CID 73442286
phenyl N-(3-methyl-1,2-thiazol-5-yl)carbamate
CID 23361835
3-[2,6-dimethyl-4-(phenoxycarbonylamino)phenyl]benzoic acid
CID 141375202
phenyl N-(3-tert-butyl-1,2,4-thiadiazol-5-yl)carbamate
CID 162365120
[3-(phenoxycarbonylamino)phenyl] N-methylcarbamate
CID 134105214
phenyl N-[3-methyl-5-[[4-[4-[[3-methyl-5-(phenoxycarbonylamino)phenyl]carbamoylamino]phenyl]sulfonylphenyl]carbamoylamino]phenyl]carbamate
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phenyl N-(3-methyl-4-phenoxyphenyl)carbamate
CID 139442804

Frequently Asked Questions

What is the IUPAC name of phenyl N-(2-tert-butyl-6-methyl-4-pyridinyl)carbamate?
The IUPAC name of phenyl N-(2-tert-butyl-6-methyl-4-pyridinyl)carbamate (CID 169322759) is phenyl N-(2-tert-butyl-6-methyl-4-pyridinyl)carbamate.
What is the SMILES notation for phenyl N-(2-tert-butyl-6-methyl-4-pyridinyl)carbamate?
The canonical SMILES for phenyl N-(2-tert-butyl-6-methyl-4-pyridinyl)carbamate is Cc1cc(NC(=O)Oc2ccccc2)cc(C(C)(C)C)n1.
What is the InChIKey of phenyl N-(2-tert-butyl-6-methyl-4-pyridinyl)carbamate?
The InChIKey is AEQAQRKOYLLULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-12-10-13(11-15(18-12)17(2,3)4)19-16(20)21-14-8-6-5-7-9-14/h5-11H,1-4H3,(H,18,19,20).
What are the key properties of phenyl N-(2-tert-butyl-6-methyl-4-pyridinyl)carbamate?
phenyl N-(2-tert-butyl-6-methyl-4-pyridinyl)carbamate has a molecular weight of 284.36 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(2-tert-butyl-6-methyl-4-pyridinyl)carbamate is sourced from PubChem (CID 169322759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).