N-(4-methyloxan-4-yl)benzamide

C13H17NO2 — CID 3665983

IUPACN-(4-methyloxan-4-yl)benzamide
SMILESCC1(NC(=O)c2ccccc2)CCOCC1
InChIInChI=1S/C13H17NO2/c1-13(7-9-16-10-8-13)14-12(15)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,15)
InChIKeyVTAFDTVWFDDUHJ-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.99
Rot. Bonds2

About N-(4-methyloxan-4-yl)benzamide

N-(4-methyloxan-4-yl)benzamide (PubChem CID 3665983) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is N-(4-methyloxan-4-yl)benzamide.

Molecular Properties

Compound NameN-(4-methyloxan-4-yl)benzamide
PubChem CID3665983
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC NameN-(4-methyloxan-4-yl)benzamide
SMILESCC1(NC(=O)c2ccccc2)CCOCC1
InChIInChI=1S/C13H17NO2/c1-13(7-9-16-10-8-13)14-12(15)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,15)
InChIKeyVTAFDTVWFDDUHJ-UHFFFAOYSA-N
XLogP1.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyloxan-4-yl)benzamide?
The IUPAC name of N-(4-methyloxan-4-yl)benzamide (CID 3665983) is N-(4-methyloxan-4-yl)benzamide.
What is the SMILES notation for N-(4-methyloxan-4-yl)benzamide?
The canonical SMILES for N-(4-methyloxan-4-yl)benzamide is CC1(NC(=O)c2ccccc2)CCOCC1.
What is the InChIKey of N-(4-methyloxan-4-yl)benzamide?
The InChIKey is VTAFDTVWFDDUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(7-9-16-10-8-13)14-12(15)11-5-3-2-4-6-11/h2-6H,7-10H2,1H3,(H,14,15).
What are the key properties of N-(4-methyloxan-4-yl)benzamide?
N-(4-methyloxan-4-yl)benzamide has a molecular weight of 219.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyloxan-4-yl)benzamide is sourced from PubChem (CID 3665983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).