N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-phenoxybenzamide

C30H29NO4 — CID 142200753

IUPACN-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-phenoxybenzamide
SMILESCc1cc(NC(=O)c2cccc(Oc3ccccc3)c2)cc(C)c1Oc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C30H29NO4/c1-19(2)27-18-26(13-14-28(27)32)35-29-20(3)15-23(16-21(29)4)31-30(33)22-9-8-12-25(17-22)34-24-10-6-5-7-11-24/h5-19,32H,1-4H3,(H,31,33)
InChIKeyKSWRJVMBYMISEV-UHFFFAOYSA-N
MW467.57 g/mol
LogP7.97
Rot. Bonds7

About N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-phenoxybenzamide

N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-phenoxybenzamide (PubChem CID 142200753) has the molecular formula C30H29NO4 and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-phenoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-phenoxybenzamide
PubChem CID142200753
Molecular FormulaC30H29NO4
Molecular Weight467.57 g/mol
Exact Mass467.21
IUPAC NameN-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-phenoxybenzamide
SMILESCc1cc(NC(=O)c2cccc(Oc3ccccc3)c2)cc(C)c1Oc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C30H29NO4/c1-19(2)27-18-26(13-14-28(27)32)35-29-20(3)15-23(16-21(29)4)31-30(33)22-9-8-12-25(17-22)34-24-10-6-5-7-11-24/h5-19,32H,1-4H3,(H,31,33)
InChIKeyKSWRJVMBYMISEV-UHFFFAOYSA-N
XLogP7.97
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 57.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-1,1-diphenylurea
CID 142200728
1-(3,5-dimethylphenyl)-3-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]urea
CID 10112746
2-acetamido-N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]acetamide
CID 142200859
1-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-(4-methoxyphenyl)urea
CID 142200724
(4-methoxyphenyl) N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]carbamate
CID 142200774
N-(4-phenoxyphenyl)-3-propan-2-yloxybenzamide
CID 8779117
4-[4-(benzylsulfanylamino)-2,6-dimethylphenoxy]-2-propan-2-ylphenol
CID 142200793
N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]morpholine-4-carboxamide
CID 142200788
4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenol
CID 25150421
N-(4-acetamidophenyl)-3-phenoxybenzamide
CID 2483771
1-N,3-N-bis(4-phenoxyphenyl)benzene-1,3-dicarboxamide
CID 3090014
N-(2-methylphenyl)-3-phenoxybenzamide
CID 2097138

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-phenoxybenzamide?
The IUPAC name of N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-phenoxybenzamide (CID 142200753) is N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-phenoxybenzamide.
What is the SMILES notation for N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-phenoxybenzamide?
The canonical SMILES for N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-phenoxybenzamide is Cc1cc(NC(=O)c2cccc(Oc3ccccc3)c2)cc(C)c1Oc1ccc(O)c(C(C)C)c1.
What is the InChIKey of N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-phenoxybenzamide?
The InChIKey is KSWRJVMBYMISEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29NO4/c1-19(2)27-18-26(13-14-28(27)32)35-29-20(3)15-23(16-21(29)4)31-30(33)22-9-8-12-25(17-22)34-24-10-6-5-7-11-24/h5-19,32H,1-4H3,(H,31,33).
What are the key properties of N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-phenoxybenzamide?
N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-phenoxybenzamide has a molecular weight of 467.57 g/mol, XLogP of 7.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylphenyl]-3-phenoxybenzamide is sourced from PubChem (CID 142200753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).