phenyl N-[1-(oxan-4-yl)ethyl]carbamate

C14H19NO3 — CID 103771775

IUPACphenyl N-[1-(oxan-4-yl)ethyl]carbamate
SMILESCC(NC(=O)Oc1ccccc1)C1CCOCC1
InChIInChI=1S/C14H19NO3/c1-11(12-7-9-17-10-8-12)15-14(16)18-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,15,16)
InChIKeyHVAPQPDGWTXOQO-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.59
Rot. Bonds3

About phenyl N-[1-(oxan-4-yl)ethyl]carbamate

phenyl N-[1-(oxan-4-yl)ethyl]carbamate (PubChem CID 103771775) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is phenyl N-[1-(oxan-4-yl)ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(oxan-4-yl)ethyl]carbamate
PubChem CID103771775
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namephenyl N-[1-(oxan-4-yl)ethyl]carbamate
SMILESCC(NC(=O)Oc1ccccc1)C1CCOCC1
InChIInChI=1S/C14H19NO3/c1-11(12-7-9-17-10-8-12)15-14(16)18-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,15,16)
InChIKeyHVAPQPDGWTXOQO-UHFFFAOYSA-N
XLogP2.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-(oxan-4-yl)carbamate
CID 61067434
1-[(1S)-1-(oxan-4-yl)ethyl]-3-[(1R,2R)-2-phenoxycyclopentyl]urea
CID 124840703
phenyl N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]carbamate
CID 98080564
phenyl N-[1-(cyclopropylamino)-1-oxopropan-2-yl]carbamate
CID 113408177
2-amino-N-[1-(oxan-4-yl)ethyl]-2-phenylpropanamide;hydrochloride
CID 120593233
phenyl N-(2-cyclopropylpropyl)carbamate
CID 115591281
2-iodo-3-methyl-N-[1-(oxan-4-yl)ethyl]benzamide
CID 103769325
3-hydroxy-N-[1-(oxan-4-yl)ethyl]benzamide
CID 113368337
phenyl N-(2-amino-1-cyclopropyl-2-hydroxyiminoethyl)carbamate
CID 77038404
(2R)-3-methyl-2-(phenoxycarbonylamino)butanoic acid
CID 14186251
1-[1-(oxan-4-yl)ethyl]-3-(2-phenylpyrimidin-5-yl)urea
CID 75381215
1-[2-(N-methylanilino)ethyl]-3-[(1S)-1-(oxan-4-yl)ethyl]urea
CID 124575953

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(oxan-4-yl)ethyl]carbamate?
The IUPAC name of phenyl N-[1-(oxan-4-yl)ethyl]carbamate (CID 103771775) is phenyl N-[1-(oxan-4-yl)ethyl]carbamate.
What is the SMILES notation for phenyl N-[1-(oxan-4-yl)ethyl]carbamate?
The canonical SMILES for phenyl N-[1-(oxan-4-yl)ethyl]carbamate is CC(NC(=O)Oc1ccccc1)C1CCOCC1.
What is the InChIKey of phenyl N-[1-(oxan-4-yl)ethyl]carbamate?
The InChIKey is HVAPQPDGWTXOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11(12-7-9-17-10-8-12)15-14(16)18-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,15,16).
What are the key properties of phenyl N-[1-(oxan-4-yl)ethyl]carbamate?
phenyl N-[1-(oxan-4-yl)ethyl]carbamate has a molecular weight of 249.31 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(oxan-4-yl)ethyl]carbamate is sourced from PubChem (CID 103771775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).