(4-tert-butylphenyl)methyl N-pyridin-3-ylcarbamate

C17H20N2O2 — CID 1213745

IUPAC(4-tert-butylphenyl)methyl N-pyridin-3-ylcarbamate
SMILESCC(C)(C)c1ccc(COC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C17H20N2O2/c1-17(2,3)14-8-6-13(7-9-14)12-21-16(20)19-15-5-4-10-18-11-15/h4-11H,12H2,1-3H3,(H,19,20)
InChIKeyVBHPQNSGIHBFQQ-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.13
Rot. Bonds3

About (4-tert-butylphenyl)methyl N-pyridin-3-ylcarbamate

(4-tert-butylphenyl)methyl N-pyridin-3-ylcarbamate (PubChem CID 1213745) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is (4-tert-butylphenyl)methyl N-pyridin-3-ylcarbamate.

Molecular Properties

Compound Name(4-tert-butylphenyl)methyl N-pyridin-3-ylcarbamate
PubChem CID1213745
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name(4-tert-butylphenyl)methyl N-pyridin-3-ylcarbamate
SMILESCC(C)(C)c1ccc(COC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C17H20N2O2/c1-17(2,3)14-8-6-13(7-9-14)12-21-16(20)19-15-5-4-10-18-11-15/h4-11H,12H2,1-3H3,(H,19,20)
InChIKeyVBHPQNSGIHBFQQ-UHFFFAOYSA-N
XLogP4.13
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-nitrophenyl)methyl N-pyridin-3-ylcarbamate
CID 67585482
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
(4-chlorophenyl)methyl N-[4-(pyridin-3-ylmethyl)phenyl]carbamate
CID 171824215
pyridin-3-ylmethyl N-(3-fluorophenyl)carbamate
CID 4524913
benzyl N-[(2S)-1-oxo-3-phenyl-1-(pyridin-3-ylamino)propan-2-yl]carbamate
CID 25392424
2-[4-[2-oxo-2-(pyridin-3-ylamino)ethyl]phenyl]-N-pyridin-3-ylacetamide
CID 177434462
4-(aminomethyl)-N-pyridin-3-ylbenzamide
CID 16774572
2-[(2-methylpropan-2-yl)oxy]-N-pyridin-3-ylacetamide
CID 112604829
(4-tert-butylphenyl)methyl 1-pyridin-3-ylpyrazole-3-carboxylate
CID 166359913
1-(4-tert-butylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62621034
N-pyridin-3-yl-3-[[4-(trifluoromethyl)phenyl]methoxy]benzamide
CID 59607236
pyridin-4-ylmethyl N-(4-methylphenyl)carbamate
CID 21000

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)methyl N-pyridin-3-ylcarbamate?
The IUPAC name of (4-tert-butylphenyl)methyl N-pyridin-3-ylcarbamate (CID 1213745) is (4-tert-butylphenyl)methyl N-pyridin-3-ylcarbamate.
What is the SMILES notation for (4-tert-butylphenyl)methyl N-pyridin-3-ylcarbamate?
The canonical SMILES for (4-tert-butylphenyl)methyl N-pyridin-3-ylcarbamate is CC(C)(C)c1ccc(COC(=O)Nc2cccnc2)cc1.
What is the InChIKey of (4-tert-butylphenyl)methyl N-pyridin-3-ylcarbamate?
The InChIKey is VBHPQNSGIHBFQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-17(2,3)14-8-6-13(7-9-14)12-21-16(20)19-15-5-4-10-18-11-15/h4-11H,12H2,1-3H3,(H,19,20).
What are the key properties of (4-tert-butylphenyl)methyl N-pyridin-3-ylcarbamate?
(4-tert-butylphenyl)methyl N-pyridin-3-ylcarbamate has a molecular weight of 284.36 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)methyl N-pyridin-3-ylcarbamate is sourced from PubChem (CID 1213745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).