2-[2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]phenyl]acetic acid

C29H25NO5 — CID 66912833

IUPAC2-[2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1cccc(OCc2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C29H25NO5/c31-28(32)18-23-11-4-5-15-27(23)30-29(33)24-12-7-14-26(17-24)35-20-22-10-6-13-25(16-22)34-19-21-8-2-1-3-9-21/h1-17H,18-20H2,(H,30,33)(H,31,32)
InChIKeyIZSMZDAKJKXUIC-UHFFFAOYSA-N
MW467.52 g/mol
LogP5.72
Rot. Bonds10

About 2-[2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]phenyl]acetic acid

2-[2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]phenyl]acetic acid (PubChem CID 66912833) has the molecular formula C29H25NO5 and a molecular weight of 467.52 g/mol. Its IUPAC name is 2-[2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]phenyl]acetic acid
PubChem CID66912833
Molecular FormulaC29H25NO5
Molecular Weight467.52 g/mol
Exact Mass467.17
IUPAC Name2-[2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)c1cccc(OCc2cccc(OCc3ccccc3)c2)c1
InChIInChI=1S/C29H25NO5/c31-28(32)18-23-11-4-5-15-27(23)30-29(33)24-12-7-14-26(17-24)35-20-22-10-6-13-25(16-22)34-19-21-8-2-1-3-9-21/h1-17H,18-20H2,(H,30,33)(H,31,32)
InChIKeyIZSMZDAKJKXUIC-UHFFFAOYSA-N
XLogP5.72
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.52
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-3-phenylmethoxybenzamide
CID 801132
N-(2-nitrophenyl)-3-phenylmethoxybenzamide
CID 23854961
N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylmethoxybenzamide
CID 38300494
3-ethoxy-N-(2-phenylmethoxyphenyl)benzamide
CID 17093571
3-[(3-methylphenyl)methoxy]-N-[2-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 55676963
N-(1H-indazol-7-yl)-3-phenylmethoxybenzamide
CID 34150556
N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-3-phenylmethoxybenzamide
CID 26522423
N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide
CID 23733067
2-[2-[(3-iodobenzoyl)amino]phenyl]acetic acid
CID 62535527
3-methoxy-N-(3-phenylmethoxyphenyl)benzamide
CID 135564193
N-(2-benzylphenyl)-3-[2-(dimethylamino)-2-oxoethoxy]benzamide
CID 55771324
2-[2-[(3-bromobenzoyl)amino]phenyl]acetic acid
CID 62537049

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]phenyl]acetic acid (CID 66912833) is 2-[2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)c1cccc(OCc2cccc(OCc3ccccc3)c2)c1.
What is the InChIKey of 2-[2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]phenyl]acetic acid?
The InChIKey is IZSMZDAKJKXUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25NO5/c31-28(32)18-23-11-4-5-15-27(23)30-29(33)24-12-7-14-26(17-24)35-20-22-10-6-13-25(16-22)34-19-21-8-2-1-3-9-21/h1-17H,18-20H2,(H,30,33)(H,31,32).
What are the key properties of 2-[2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]phenyl]acetic acid?
2-[2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]phenyl]acetic acid has a molecular weight of 467.52 g/mol, XLogP of 5.72, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]phenyl]acetic acid is sourced from PubChem (CID 66912833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).