N-(oxan-4-yl)-2-propan-2-ylbenzamide

C15H21NO2 — CID 177167403

IUPACN-(oxan-4-yl)-2-propan-2-ylbenzamide
SMILESCC(C)c1ccccc1C(=O)NC1CCOCC1
InChIInChI=1S/C15H21NO2/c1-11(2)13-5-3-4-6-14(13)15(17)16-12-7-9-18-10-8-12/h3-6,11-12H,7-10H2,1-2H3,(H,16,17)
InChIKeyAZAUPVNXGAAJDN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.72
Rot. Bonds3

About N-(oxan-4-yl)-2-propan-2-ylbenzamide

N-(oxan-4-yl)-2-propan-2-ylbenzamide (PubChem CID 177167403) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(oxan-4-yl)-2-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-2-propan-2-ylbenzamide
PubChem CID177167403
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(oxan-4-yl)-2-propan-2-ylbenzamide
SMILESCC(C)c1ccccc1C(=O)NC1CCOCC1
InChIInChI=1S/C15H21NO2/c1-11(2)13-5-3-4-6-14(13)15(17)16-12-7-9-18-10-8-12/h3-6,11-12H,7-10H2,1-2H3,(H,16,17)
InChIKeyAZAUPVNXGAAJDN-UHFFFAOYSA-N
XLogP2.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-iodo-N-(oxan-4-yl)benzamide
CID 61063086
2-methyl-N-[(3S)-oxolan-3-yl]benzamide
CID 70955221
2-methyl-N-[(3R)-oxolan-3-yl]benzamide
CID 70845923
3-fluoro-2-(methylamino)-N-(oxan-4-yl)benzamide
CID 62660307
2-bromo-3-iodo-N-(oxan-4-yl)benzamide
CID 171921430
2-fluoro-3-methyl-N-(oxepan-4-yl)benzamide
CID 136520781
2-ethenyl-3-methyl-N-(oxan-4-yl)benzamide
CID 169452441
2-(oxan-4-ylcarbamoyl)-6-phenylbenzoic acid
CID 123160028
2-(3-hydroxyprop-1-ynyl)-N-(oxan-4-yl)benzamide
CID 60815314
2,4-dimethyl-N-(oxan-4-yl)benzamide
CID 70845723
N-(3-morpholin-4-ylpropyl)-2-propan-2-ylbenzamide
CID 143519809
N-[2,6-di(propan-2-yl)phenyl]oxane-4-carboxamide
CID 31962742

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-2-propan-2-ylbenzamide?
The IUPAC name of N-(oxan-4-yl)-2-propan-2-ylbenzamide (CID 177167403) is N-(oxan-4-yl)-2-propan-2-ylbenzamide.
What is the SMILES notation for N-(oxan-4-yl)-2-propan-2-ylbenzamide?
The canonical SMILES for N-(oxan-4-yl)-2-propan-2-ylbenzamide is CC(C)c1ccccc1C(=O)NC1CCOCC1.
What is the InChIKey of N-(oxan-4-yl)-2-propan-2-ylbenzamide?
The InChIKey is AZAUPVNXGAAJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(2)13-5-3-4-6-14(13)15(17)16-12-7-9-18-10-8-12/h3-6,11-12H,7-10H2,1-2H3,(H,16,17).
What are the key properties of N-(oxan-4-yl)-2-propan-2-ylbenzamide?
N-(oxan-4-yl)-2-propan-2-ylbenzamide has a molecular weight of 247.34 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-2-propan-2-ylbenzamide is sourced from PubChem (CID 177167403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).