2-(4-phenylmethoxy-N-[4-[(3-phenylmethoxyphenyl)methoxy]benzoyl]anilino)acetic acid

C36H31NO6 — CID 66912772

IUPAC2-(4-phenylmethoxy-N-[4-[(3-phenylmethoxyphenyl)methoxy]benzoyl]anilino)acetic acid
SMILESO=C(O)CN(C(=O)c1ccc(OCc2cccc(OCc3ccccc3)c2)cc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C36H31NO6/c38-35(39)23-37(31-16-20-33(21-17-31)41-24-27-8-3-1-4-9-27)36(40)30-14-18-32(19-15-30)42-26-29-12-7-13-34(22-29)43-25-28-10-5-2-6-11-28/h1-22H,23-26H2,(H,38,39)
InChIKeySDVBZUFZGIEBTD-UHFFFAOYSA-N
MW573.65 g/mol
LogP7.16
Rot. Bonds13

About 2-(4-phenylmethoxy-N-[4-[(3-phenylmethoxyphenyl)methoxy]benzoyl]anilino)acetic acid

2-(4-phenylmethoxy-N-[4-[(3-phenylmethoxyphenyl)methoxy]benzoyl]anilino)acetic acid (PubChem CID 66912772) has the molecular formula C36H31NO6 and a molecular weight of 573.65 g/mol. Its IUPAC name is 2-(4-phenylmethoxy-N-[4-[(3-phenylmethoxyphenyl)methoxy]benzoyl]anilino)acetic acid.

Molecular Properties

Compound Name2-(4-phenylmethoxy-N-[4-[(3-phenylmethoxyphenyl)methoxy]benzoyl]anilino)acetic acid
PubChem CID66912772
Molecular FormulaC36H31NO6
Molecular Weight573.65 g/mol
Exact Mass573.22
IUPAC Name2-(4-phenylmethoxy-N-[4-[(3-phenylmethoxyphenyl)methoxy]benzoyl]anilino)acetic acid
SMILESO=C(O)CN(C(=O)c1ccc(OCc2cccc(OCc3ccccc3)c2)cc1)c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C36H31NO6/c38-35(39)23-37(31-16-20-33(21-17-31)41-24-27-8-3-1-4-9-27)36(40)30-14-18-32(19-15-30)42-26-29-12-7-13-34(22-29)43-25-28-10-5-2-6-11-28/h1-22H,23-26H2,(H,38,39)
InChIKeySDVBZUFZGIEBTD-UHFFFAOYSA-N
XLogP7.16
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.65
LogP ≤ 57.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]-[(4-phenylmethoxyphenyl)methyl]amino]propanoic acid
CID 66913001
2-(N-(3-methoxybenzoyl)anilino)acetic acid
CID 28765030
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
2-[N-acetyl-3-[(4-phenylphenoxy)methyl]anilino]acetic acid
CID 58287793
N,N-diethyl-4-phenylmethoxybenzamide
CID 4958372
ethyl 3-[[4-[(3-phenylmethoxyphenyl)methoxy]benzoyl]-[(4-phenylmethoxyphenyl)methyl]amino]propanoate
CID 66912851
4-phenylmethoxybenzoic acid
CID 68896574
N-ethyl-N-(2-methylprop-2-enyl)-4-phenylmethoxybenzamide
CID 55370161
ethyl 3-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]-[(4-phenylmethoxyphenyl)methyl]amino]propanoate
CID 66912964
2-[4-[(4-phenylmethoxyphenyl)methoxy]-N-[4-phenyl-2-(sulfanylmethyl)butanoyl]anilino]acetic acid
CID 22120800
(3-phenylmethoxyphenyl)methyl N-[[4-(dimethylamino)benzoyl]amino]carbamate
CID 6733878
N-ethyl-N-phenyl-4-[[2-(3-phenylmethoxyanilino)acetyl]amino]benzamide
CID 54826705

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxy-N-[4-[(3-phenylmethoxyphenyl)methoxy]benzoyl]anilino)acetic acid?
The IUPAC name of 2-(4-phenylmethoxy-N-[4-[(3-phenylmethoxyphenyl)methoxy]benzoyl]anilino)acetic acid (CID 66912772) is 2-(4-phenylmethoxy-N-[4-[(3-phenylmethoxyphenyl)methoxy]benzoyl]anilino)acetic acid.
What is the SMILES notation for 2-(4-phenylmethoxy-N-[4-[(3-phenylmethoxyphenyl)methoxy]benzoyl]anilino)acetic acid?
The canonical SMILES for 2-(4-phenylmethoxy-N-[4-[(3-phenylmethoxyphenyl)methoxy]benzoyl]anilino)acetic acid is O=C(O)CN(C(=O)c1ccc(OCc2cccc(OCc3ccccc3)c2)cc1)c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylmethoxy-N-[4-[(3-phenylmethoxyphenyl)methoxy]benzoyl]anilino)acetic acid?
The InChIKey is SDVBZUFZGIEBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31NO6/c38-35(39)23-37(31-16-20-33(21-17-31)41-24-27-8-3-1-4-9-27)36(40)30-14-18-32(19-15-30)42-26-29-12-7-13-34(22-29)43-25-28-10-5-2-6-11-28/h1-22H,23-26H2,(H,38,39).
What are the key properties of 2-(4-phenylmethoxy-N-[4-[(3-phenylmethoxyphenyl)methoxy]benzoyl]anilino)acetic acid?
2-(4-phenylmethoxy-N-[4-[(3-phenylmethoxyphenyl)methoxy]benzoyl]anilino)acetic acid has a molecular weight of 573.65 g/mol, XLogP of 7.16, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxy-N-[4-[(3-phenylmethoxyphenyl)methoxy]benzoyl]anilino)acetic acid is sourced from PubChem (CID 66912772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).