N-[(4-phenyloxan-4-yl)methyl]acetamide

C14H19NO2 — CID 755211

IUPACN-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESCC(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C14H19NO2/c1-12(16)15-11-14(7-9-17-10-8-14)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,15,16)
InChIKeyNGIANCGROXYCRZ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.87
Rot. Bonds3

About N-[(4-phenyloxan-4-yl)methyl]acetamide

N-[(4-phenyloxan-4-yl)methyl]acetamide (PubChem CID 755211) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-[(4-phenyloxan-4-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-phenyloxan-4-yl)methyl]acetamide
PubChem CID755211
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-[(4-phenyloxan-4-yl)methyl]acetamide
SMILESCC(=O)NCC1(c2ccccc2)CCOCC1
InChIInChI=1S/C14H19NO2/c1-12(16)15-11-14(7-9-17-10-8-14)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,15,16)
InChIKeyNGIANCGROXYCRZ-UHFFFAOYSA-N
XLogP1.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-phenyloxan-4-yl)methyl]acetamide?
The IUPAC name of N-[(4-phenyloxan-4-yl)methyl]acetamide (CID 755211) is N-[(4-phenyloxan-4-yl)methyl]acetamide.
What is the SMILES notation for N-[(4-phenyloxan-4-yl)methyl]acetamide?
The canonical SMILES for N-[(4-phenyloxan-4-yl)methyl]acetamide is CC(=O)NCC1(c2ccccc2)CCOCC1.
What is the InChIKey of N-[(4-phenyloxan-4-yl)methyl]acetamide?
The InChIKey is NGIANCGROXYCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-12(16)15-11-14(7-9-17-10-8-14)13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,15,16).
What are the key properties of N-[(4-phenyloxan-4-yl)methyl]acetamide?
N-[(4-phenyloxan-4-yl)methyl]acetamide has a molecular weight of 233.31 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-phenyloxan-4-yl)methyl]acetamide is sourced from PubChem (CID 755211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).