N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide

C22H21NO3 — CID 8779117

IUPACN-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C22H21NO3/c1-16(2)25-21-10-6-7-17(15-21)22(24)23-18-11-13-20(14-12-18)26-19-8-4-3-5-9-19/h3-16H,1-2H3,(H,23,24)
InChIKeyZHVIGHOXONAGTK-UHFFFAOYSA-N
MW347.41 g/mol
LogP5.52
Rot. Bonds6

About N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide

N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide (PubChem CID 8779117) has the molecular formula C22H21NO3 and a molecular weight of 347.41 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
PubChem CID8779117
Molecular FormulaC22H21NO3
Molecular Weight347.41 g/mol
Exact Mass347.15
IUPAC NameN-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
SMILESCC(C)Oc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1
InChIInChI=1S/C22H21NO3/c1-16(2)25-21-10-6-7-17(15-21)22(24)23-18-11-13-20(14-12-18)26-19-8-4-3-5-9-19/h3-16H,1-2H3,(H,23,24)
InChIKeyZHVIGHOXONAGTK-UHFFFAOYSA-N
XLogP5.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.41
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
N-(4-acetamidophenyl)-3-phenoxybenzamide
CID 2483771
3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
CID 4981650
3-acetamido-N-(4-phenoxyphenyl)benzamide
CID 24639214
3-propan-2-yloxy-N-[4-[[4-[(3-propan-2-yloxybenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 17142916
N-(4-phenoxyphenyl)-3-phenylbenzamide
CID 117089120
N-[4-(2-methylpropoxy)phenyl]-3-propan-2-yloxybenzamide
CID 17142469
N-(4-bromophenyl)-3-phenoxybenzamide
CID 1318843
3-(difluoromethoxy)-N-[4-(4-methylphenoxy)phenyl]benzamide
CID 7925214
3-N-(4-fluorophenyl)-1-N-(4-propan-2-yloxyphenyl)benzene-1,3-dicarboxamide
CID 109057469
3-phenoxy-N-[4-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 8752814
N-(4-anilinophenyl)-2-[(3-propan-2-yloxybenzoyl)amino]benzamide
CID 17142457

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide?
The IUPAC name of N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide (CID 8779117) is N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide?
The canonical SMILES for N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide is CC(C)Oc1cccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c1.
What is the InChIKey of N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide?
The InChIKey is ZHVIGHOXONAGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO3/c1-16(2)25-21-10-6-7-17(15-21)22(24)23-18-11-13-20(14-12-18)26-19-8-4-3-5-9-19/h3-16H,1-2H3,(H,23,24).
What are the key properties of N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide?
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide has a molecular weight of 347.41 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide is sourced from PubChem (CID 8779117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).