4-phenoxy-2,6-di(propan-2-yl)benzamide

C19H23NO2 — CID 174677959

IUPAC4-phenoxy-2,6-di(propan-2-yl)benzamide
SMILESCC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1C(N)=O
InChIInChI=1S/C19H23NO2/c1-12(2)16-10-15(22-14-8-6-5-7-9-14)11-17(13(3)4)18(16)19(20)21/h5-13H,1-4H3,(H2,20,21)
InChIKeyLCBIPVYLEYLLRV-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.82
Rot. Bonds5

About 4-phenoxy-2,6-di(propan-2-yl)benzamide

4-phenoxy-2,6-di(propan-2-yl)benzamide (PubChem CID 174677959) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is 4-phenoxy-2,6-di(propan-2-yl)benzamide.

Molecular Properties

Compound Name4-phenoxy-2,6-di(propan-2-yl)benzamide
PubChem CID174677959
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC Name4-phenoxy-2,6-di(propan-2-yl)benzamide
SMILESCC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1C(N)=O
InChIInChI=1S/C19H23NO2/c1-12(2)16-10-15(22-14-8-6-5-7-9-14)11-17(13(3)4)18(16)19(20)21/h5-13H,1-4H3,(H2,20,21)
InChIKeyLCBIPVYLEYLLRV-UHFFFAOYSA-N
XLogP4.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl N-[4-phenoxy-2,6-di(propan-2-yl)phenyl]-N-(propan-2-ylcarbamothioyl)carbamate
CID 22157128
(3-phenoxyphenyl) 2-methylpropanoate
CID 175210389
2-methyl-5-phenoxybenzamide;hydrochloride
CID 174534962
phenyl 2,6-di(propan-2-yl)benzoate
CID 175162380
1-tert-butyl-3-[4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea
CID 3034380
4-phenoxy-3-propan-2-yloxybenzamide
CID 174415325
ethyl 4-[[4-phenoxy-2,6-di(propan-2-yl)phenyl]carbamothioylamino]butanoate
CID 178072113
2-(4-phenoxyphenyl)propanoic acid
CID 527817
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
phenoxybenzene;prop-2-enoic acid
CID 66735010
2-(3-phenoxyphenoxy)propanehydrazide
CID 63576934
2-phenyl-4-propan-2-ylpyridine-3-carboxamide
CID 89497605

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-2,6-di(propan-2-yl)benzamide?
The IUPAC name of 4-phenoxy-2,6-di(propan-2-yl)benzamide (CID 174677959) is 4-phenoxy-2,6-di(propan-2-yl)benzamide.
What is the SMILES notation for 4-phenoxy-2,6-di(propan-2-yl)benzamide?
The canonical SMILES for 4-phenoxy-2,6-di(propan-2-yl)benzamide is CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1C(N)=O.
What is the InChIKey of 4-phenoxy-2,6-di(propan-2-yl)benzamide?
The InChIKey is LCBIPVYLEYLLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-12(2)16-10-15(22-14-8-6-5-7-9-14)11-17(13(3)4)18(16)19(20)21/h5-13H,1-4H3,(H2,20,21).
What are the key properties of 4-phenoxy-2,6-di(propan-2-yl)benzamide?
4-phenoxy-2,6-di(propan-2-yl)benzamide has a molecular weight of 297.40 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-2,6-di(propan-2-yl)benzamide is sourced from PubChem (CID 174677959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).