phenyl N-(oxan-4-yl)carbamate

C12H15NO3 — CID 61067434

IUPACphenyl N-(oxan-4-yl)carbamate
SMILESO=C(NC1CCOCC1)Oc1ccccc1
InChIInChI=1S/C12H15NO3/c14-12(13-10-6-8-15-9-7-10)16-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,13,14)
InChIKeyLQGRWHLIMVWZTF-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.95
Rot. Bonds2

About phenyl N-(oxan-4-yl)carbamate

phenyl N-(oxan-4-yl)carbamate (PubChem CID 61067434) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is phenyl N-(oxan-4-yl)carbamate.

Molecular Properties

Compound Namephenyl N-(oxan-4-yl)carbamate
PubChem CID61067434
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Namephenyl N-(oxan-4-yl)carbamate
SMILESO=C(NC1CCOCC1)Oc1ccccc1
InChIInChI=1S/C12H15NO3/c14-12(13-10-6-8-15-9-7-10)16-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,13,14)
InChIKeyLQGRWHLIMVWZTF-UHFFFAOYSA-N
XLogP1.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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phenyl N-[(3R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of phenyl N-(oxan-4-yl)carbamate?
The IUPAC name of phenyl N-(oxan-4-yl)carbamate (CID 61067434) is phenyl N-(oxan-4-yl)carbamate.
What is the SMILES notation for phenyl N-(oxan-4-yl)carbamate?
The canonical SMILES for phenyl N-(oxan-4-yl)carbamate is O=C(NC1CCOCC1)Oc1ccccc1.
What is the InChIKey of phenyl N-(oxan-4-yl)carbamate?
The InChIKey is LQGRWHLIMVWZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-12(13-10-6-8-15-9-7-10)16-11-4-2-1-3-5-11/h1-5,10H,6-9H2,(H,13,14).
What are the key properties of phenyl N-(oxan-4-yl)carbamate?
phenyl N-(oxan-4-yl)carbamate has a molecular weight of 221.26 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(oxan-4-yl)carbamate is sourced from PubChem (CID 61067434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).