4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide

C23H23NO3 — CID 142594961

IUPAC4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide
SMILESCOC(C)(C)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C23H23NO3/c1-23(2,26-3)18-11-9-17(10-12-18)22(25)24-19-13-15-21(16-14-19)27-20-7-5-4-6-8-20/h4-16H,1-3H3,(H,24,25)
InChIKeyOWNALBDZZDWNIW-UHFFFAOYSA-N
MW361.44 g/mol
LogP5.61
Rot. Bonds6

About 4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide

4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide (PubChem CID 142594961) has the molecular formula C23H23NO3 and a molecular weight of 361.44 g/mol. Its IUPAC name is 4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide
PubChem CID142594961
Molecular FormulaC23H23NO3
Molecular Weight361.44 g/mol
Exact Mass361.17
IUPAC Name4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide
SMILESCOC(C)(C)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1
InChIInChI=1S/C23H23NO3/c1-23(2,26-3)18-11-9-17(10-12-18)22(25)24-19-13-15-21(16-14-19)27-20-7-5-4-6-8-20/h4-16H,1-3H3,(H,24,25)
InChIKeyOWNALBDZZDWNIW-UHFFFAOYSA-N
XLogP5.61
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.44
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-(4-phenoxyphenyl)benzamide
CID 675709
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
4-phenyl-N-[4-[4-[2-[4-[4-[(4-phenylbenzoyl)amino]phenoxy]phenyl]propan-2-yl]phenoxy]phenyl]benzamide
CID 19577181
4-[[4-[4-[(4-carboxyphenyl)carbamoyl]phenoxy]benzoyl]amino]benzoic acid
CID 1113230
4-[(4-phenoxybenzoyl)amino]benzoate
CID 6953062
N-[4-(diethylamino)phenyl]-4-phenoxybenzamide
CID 7900350
4-tert-butyl-N-[4-(3-fluorophenoxy)phenyl]benzamide
CID 142594929
3,4-dichloro-N-[4-[4-(2-phenylpropan-2-yl)phenoxy]phenyl]benzamide
CID 4507863
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
4-tert-butyl-N'-(4-phenoxybenzoyl)benzohydrazide
CID 7980024
3-acetamido-N-(4-phenoxyphenyl)benzamide
CID 24639214
N-(4-pentoxyphenyl)-4-phenoxybenzamide
CID 5048433

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide?
The IUPAC name of 4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide (CID 142594961) is 4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide.
What is the SMILES notation for 4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide?
The canonical SMILES for 4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide is COC(C)(C)c1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1.
What is the InChIKey of 4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide?
The InChIKey is OWNALBDZZDWNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23NO3/c1-23(2,26-3)18-11-9-17(10-12-18)22(25)24-19-13-15-21(16-14-19)27-20-7-5-4-6-8-20/h4-16H,1-3H3,(H,24,25).
What are the key properties of 4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide?
4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide has a molecular weight of 361.44 g/mol, XLogP of 5.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxypropan-2-yl)-N-(4-phenoxyphenyl)benzamide is sourced from PubChem (CID 142594961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).