benzyl N-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]carbamate

C16H18N2O3 — CID 167736278

IUPACbenzyl N-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]carbamate
SMILESCC(C)(O)c1ccnc(NC(=O)OCc2ccccc2)c1
InChIInChI=1S/C16H18N2O3/c1-16(2,20)13-8-9-17-14(10-13)18-15(19)21-11-12-6-4-3-5-7-12/h3-10,20H,11H2,1-2H3,(H,17,18,19)
InChIKeyWZKAFMLYKUWMHC-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.06
Rot. Bonds4

About benzyl N-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]carbamate

benzyl N-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]carbamate (PubChem CID 167736278) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is benzyl N-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]carbamate
PubChem CID167736278
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Namebenzyl N-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]carbamate
SMILESCC(C)(O)c1ccnc(NC(=O)OCc2ccccc2)c1
InChIInChI=1S/C16H18N2O3/c1-16(2,20)13-8-9-17-14(10-13)18-15(19)21-11-12-6-4-3-5-7-12/h3-10,20H,11H2,1-2H3,(H,17,18,19)
InChIKeyWZKAFMLYKUWMHC-UHFFFAOYSA-N
XLogP3.06
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-(2-hydroxypropan-2-yl)pyridine-2-carboxylate
CID 167031341
benzyl N-pyrimidin-4-ylcarbamate
CID 141216727
benzyl N-(4-amino-5-fluoro-2-pyridinyl)carbamate
CID 130287830
benzyl N-[4-(4-amino-3-methylsulfanylphenoxy)-2-pyridinyl]carbamate;hydrochloride
CID 155586385
benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 173301676
benzyl N-(2-methylsulfanyl-4-pyridinyl)carbamate
CID 166160888
benzyl N-(2-methyl-3-pyridinyl)carbamate
CID 10514300
benzyl N-(1-tert-butyl-2-oxopyrimidin-4-yl)carbamate
CID 118527129
2-(3-phenylmethoxyphenyl)propan-2-ol
CID 13368032
benzyl N-[1-[5-(2-hydroxypropan-2-yl)-2-pyridinyl]-2-oxo-3-pyridinyl]carbamate
CID 140747518
benzyl N-[(2S,3R)-3-hydroxy-2-phenylbutan-2-yl]carbamate
CID 11208783
(2E)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-pyridinyl]-2-phenylmethoxyiminoacetic acid
CID 135386874

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]carbamate?
The IUPAC name of benzyl N-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]carbamate (CID 167736278) is benzyl N-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]carbamate.
What is the SMILES notation for benzyl N-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]carbamate?
The canonical SMILES for benzyl N-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]carbamate is CC(C)(O)c1ccnc(NC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl N-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]carbamate?
The InChIKey is WZKAFMLYKUWMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-16(2,20)13-8-9-17-14(10-13)18-15(19)21-11-12-6-4-3-5-7-12/h3-10,20H,11H2,1-2H3,(H,17,18,19).
What are the key properties of benzyl N-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]carbamate?
benzyl N-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]carbamate has a molecular weight of 286.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(2-hydroxypropan-2-yl)-2-pyridinyl]carbamate is sourced from PubChem (CID 167736278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).