[3-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]phenyl] 2-(4-methylphenyl)acetate

C30H27NO5 — CID 168859417

IUPAC[3-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]phenyl] 2-(4-methylphenyl)acetate
SMILESCOc1cc(CC(=O)Nc2cccc(-c3cccc(OC(=O)Cc4ccc(C)cc4)c3)c2)ccc1O
InChIInChI=1S/C30H27NO5/c1-20-9-11-21(12-10-20)17-30(34)36-26-8-4-6-24(19-26)23-5-3-7-25(18-23)31-29(33)16-22-13-14-27(32)28(15-22)35-2/h3-15,18-19,32H,16-17H2,1-2H3,(H,31,33)
InChIKeyRUDKZMKVZCHCMA-UHFFFAOYSA-N
MW481.55 g/mol
LogP5.71
Rot. Bonds8

About [3-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]phenyl] 2-(4-methylphenyl)acetate

[3-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]phenyl] 2-(4-methylphenyl)acetate (PubChem CID 168859417) has the molecular formula C30H27NO5 and a molecular weight of 481.55 g/mol. Its IUPAC name is [3-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]phenyl] 2-(4-methylphenyl)acetate.

Molecular Properties

Compound Name[3-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]phenyl] 2-(4-methylphenyl)acetate
PubChem CID168859417
Molecular FormulaC30H27NO5
Molecular Weight481.55 g/mol
Exact Mass481.19
IUPAC Name[3-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]phenyl] 2-(4-methylphenyl)acetate
SMILESCOc1cc(CC(=O)Nc2cccc(-c3cccc(OC(=O)Cc4ccc(C)cc4)c3)c2)ccc1O
InChIInChI=1S/C30H27NO5/c1-20-9-11-21(12-10-20)17-30(34)36-26-8-4-6-24(19-26)23-5-3-7-25(18-23)31-29(33)16-22-13-14-27(32)28(15-22)35-2/h3-15,18-19,32H,16-17H2,1-2H3,(H,31,33)
InChIKeyRUDKZMKVZCHCMA-UHFFFAOYSA-N
XLogP5.71
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.55
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

2-(4-hydroxy-3-methoxyphenyl)-N-[3-[(Z)-2-phenylethenyl]phenyl]acetamide
CID 58679871
2-(3,4-dimethoxyphenyl)-N-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 2233014
2-(3,4-dimethoxyphenyl)-N-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 71497244
2-(4-methoxy-3-methylphenyl)-N-(3-methylphenyl)acetamide
CID 16848486
2-(4-hydroxy-3-methoxyphenyl)-N-(4-iodophenyl)acetamide
CID 22019683
2-(4-hydroxyphenyl)-N-(3-methoxyphenyl)acetamide
CID 67668743
[3-[[3-[[2-(4-methylphenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927917
2-(2-methoxy-5-methylphenyl)-N-(3-methylphenyl)acetamide
CID 9039136
N-[3-(2-cyclohexylethyl)phenyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide
CID 22019671
methyl 2-[4-(3-methylphenyl)phenyl]acetate
CID 75488309
2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110743282
N-(3,4-dimethoxyphenyl)-2-(3-methylphenyl)acetamide
CID 9497409

Frequently Asked Questions

What is the IUPAC name of [3-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]phenyl] 2-(4-methylphenyl)acetate?
The IUPAC name of [3-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]phenyl] 2-(4-methylphenyl)acetate (CID 168859417) is [3-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]phenyl] 2-(4-methylphenyl)acetate.
What is the SMILES notation for [3-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]phenyl] 2-(4-methylphenyl)acetate?
The canonical SMILES for [3-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]phenyl] 2-(4-methylphenyl)acetate is COc1cc(CC(=O)Nc2cccc(-c3cccc(OC(=O)Cc4ccc(C)cc4)c3)c2)ccc1O.
What is the InChIKey of [3-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]phenyl] 2-(4-methylphenyl)acetate?
The InChIKey is RUDKZMKVZCHCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO5/c1-20-9-11-21(12-10-20)17-30(34)36-26-8-4-6-24(19-26)23-5-3-7-25(18-23)31-29(33)16-22-13-14-27(32)28(15-22)35-2/h3-15,18-19,32H,16-17H2,1-2H3,(H,31,33).
What are the key properties of [3-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]phenyl] 2-(4-methylphenyl)acetate?
[3-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]phenyl] 2-(4-methylphenyl)acetate has a molecular weight of 481.55 g/mol, XLogP of 5.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]phenyl]phenyl] 2-(4-methylphenyl)acetate is sourced from PubChem (CID 168859417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).