oxan-4-yl N-ethyl-N-(pyridin-2-ylmethyl)carbamate

C14H20N2O3 — CID 100763280

IUPACoxan-4-yl N-ethyl-N-(pyridin-2-ylmethyl)carbamate
SMILESCCN(Cc1ccccn1)C(=O)OC1CCOCC1
InChIInChI=1S/C14H20N2O3/c1-2-16(11-12-5-3-4-8-15-12)14(17)19-13-6-9-18-10-7-13/h3-5,8,13H,2,6-7,9-11H2,1H3
InChIKeyWKBBXYBSALZNOS-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.22
Rot. Bonds4

About oxan-4-yl N-ethyl-N-(pyridin-2-ylmethyl)carbamate

oxan-4-yl N-ethyl-N-(pyridin-2-ylmethyl)carbamate (PubChem CID 100763280) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is oxan-4-yl N-ethyl-N-(pyridin-2-ylmethyl)carbamate.

Molecular Properties

Compound Nameoxan-4-yl N-ethyl-N-(pyridin-2-ylmethyl)carbamate
PubChem CID100763280
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Nameoxan-4-yl N-ethyl-N-(pyridin-2-ylmethyl)carbamate
SMILESCCN(Cc1ccccn1)C(=O)OC1CCOCC1
InChIInChI=1S/C14H20N2O3/c1-2-16(11-12-5-3-4-8-15-12)14(17)19-13-6-9-18-10-7-13/h3-5,8,13H,2,6-7,9-11H2,1H3
InChIKeyWKBBXYBSALZNOS-UHFFFAOYSA-N
XLogP2.22
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Morpholinomethyl)-pyridine
CID 269694
Cyclohexyl pyridin-3-ylcarbamate
CID 694464
N-[3-(dimethylamino)propyl]-N-(pyridin-2-ylmethyl)acetamide
CID 1921168
(5-pentadecyloxolan-2-yl)methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide
CID 14785945
2-(N-Acetyl-N-((2-(2-octadecyloxyethoxy)ethoxy)carbonyl)aminomethyl)-1-ethylpyridinium iodide
CID 15724563
4-Pyridin-2-ylmethyl-piperazine-1-carboxylic acid ethyl ester
CID 653130
octadecyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide
CID 15724575
icosyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide
CID 15724577
2-ethylsulfanylethyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate iodide
CID 15724585
4-Pyridin-2-ylethynyl-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
CID 44403552
Ethyl 4-(3-pyridin-2-ylprop-2-ynylidene)piperidine-1-carboxylate
CID 155535743
Ethyl 4-(2-pyridylmethyl)piperazinecarboxylate
CID 653131

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl N-ethyl-N-(pyridin-2-ylmethyl)carbamate?
The IUPAC name of oxan-4-yl N-ethyl-N-(pyridin-2-ylmethyl)carbamate (CID 100763280) is oxan-4-yl N-ethyl-N-(pyridin-2-ylmethyl)carbamate.
What is the SMILES notation for oxan-4-yl N-ethyl-N-(pyridin-2-ylmethyl)carbamate?
The canonical SMILES for oxan-4-yl N-ethyl-N-(pyridin-2-ylmethyl)carbamate is CCN(Cc1ccccn1)C(=O)OC1CCOCC1.
What is the InChIKey of oxan-4-yl N-ethyl-N-(pyridin-2-ylmethyl)carbamate?
The InChIKey is WKBBXYBSALZNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-2-16(11-12-5-3-4-8-15-12)14(17)19-13-6-9-18-10-7-13/h3-5,8,13H,2,6-7,9-11H2,1H3.
What are the key properties of oxan-4-yl N-ethyl-N-(pyridin-2-ylmethyl)carbamate?
oxan-4-yl N-ethyl-N-(pyridin-2-ylmethyl)carbamate has a molecular weight of 264.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl N-ethyl-N-(pyridin-2-ylmethyl)carbamate is sourced from PubChem (CID 100763280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).