4-phenyloxane-4-carboxamide

C12H15NO2 — CID 2236132

IUPAC4-phenyloxane-4-carboxamide
SMILESNC(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C12H15NO2/c13-11(14)12(6-8-15-9-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,13,14)
InChIKeyDWJCANLTOGGBNS-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.22
Rot. Bonds2

About 4-phenyloxane-4-carboxamide

4-phenyloxane-4-carboxamide (PubChem CID 2236132) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 4-phenyloxane-4-carboxamide.

Molecular Properties

Compound Name4-phenyloxane-4-carboxamide
PubChem CID2236132
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name4-phenyloxane-4-carboxamide
SMILESNC(=O)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C12H15NO2/c13-11(14)12(6-8-15-9-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,13,14)
InChIKeyDWJCANLTOGGBNS-UHFFFAOYSA-N
XLogP1.22
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Phenyloxane-4-carbaldehyde
CID 12405610
4-Phenyl-tetrahydro-pyran-4-carboxylic acid isopropylamide
CID 972737
3-Hydroxy-1-phenylcyclobutane-1-carboxamide
CID 131324650
2-(2,2-dimethyl-4-phenyltetrahydro-2H-pyran-4-yl)acetamide
CID 2870947
4-(3-Bromophenyl)oxane-4-carboxamide
CID 15547185
2-(4-Fluorophenyl)-4-hydroxybutanamide
CID 22013235
4-(4-fluorophenyl)-N-methyloxane-4-carboxamide
CID 47390571
4-(4-fluorophenyl)tetrahydro-2H-pyran-4-carboxamide
CID 50895871
(2R)-2-(4-fluorophenyl)-4-hydroxybutanamide
CID 54203349
(2S)-2-(4-fluorophenyl)-4-hydroxybutanamide
CID 54203350
(3R,4S)-4-(2-fluorophenyl)-3-(methoxymethoxymethyl)oxane-4-carboxamide
CID 57827213
4-(3,5-difluorophenyl)tetrahydro-2H-pyran-4-carboxamide
CID 66657408

Frequently Asked Questions

What is the IUPAC name of 4-phenyloxane-4-carboxamide?
The IUPAC name of 4-phenyloxane-4-carboxamide (CID 2236132) is 4-phenyloxane-4-carboxamide.
What is the SMILES notation for 4-phenyloxane-4-carboxamide?
The canonical SMILES for 4-phenyloxane-4-carboxamide is NC(=O)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-phenyloxane-4-carboxamide?
The InChIKey is DWJCANLTOGGBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c13-11(14)12(6-8-15-9-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2,(H2,13,14).
What are the key properties of 4-phenyloxane-4-carboxamide?
4-phenyloxane-4-carboxamide has a molecular weight of 205.26 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyloxane-4-carboxamide is sourced from PubChem (CID 2236132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).