2-[4-[(3,5-dibenzamidobenzoyl)amino]phenoxy]acetic acid

C29H23N3O6 — CID 17172409

IUPAC2-[4-[(3,5-dibenzamidobenzoyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)c2cc(NC(=O)c3ccccc3)cc(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C29H23N3O6/c33-26(34)18-38-25-13-11-22(12-14-25)30-29(37)21-15-23(31-27(35)19-7-3-1-4-8-19)17-24(16-21)32-28(36)20-9-5-2-6-10-20/h1-17H,18H2,(H,30,37)(H,31,35)(H,32,36)(H,33,34)
InChIKeyMFQLPENTOBAAJJ-UHFFFAOYSA-N
MW509.52 g/mol
LogP4.91
Rot. Bonds9

About 2-[4-[(3,5-dibenzamidobenzoyl)amino]phenoxy]acetic acid

2-[4-[(3,5-dibenzamidobenzoyl)amino]phenoxy]acetic acid (PubChem CID 17172409) has the molecular formula C29H23N3O6 and a molecular weight of 509.52 g/mol. Its IUPAC name is 2-[4-[(3,5-dibenzamidobenzoyl)amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[(3,5-dibenzamidobenzoyl)amino]phenoxy]acetic acid
PubChem CID17172409
Molecular FormulaC29H23N3O6
Molecular Weight509.52 g/mol
Exact Mass509.16
IUPAC Name2-[4-[(3,5-dibenzamidobenzoyl)amino]phenoxy]acetic acid
SMILESO=C(O)COc1ccc(NC(=O)c2cc(NC(=O)c3ccccc3)cc(NC(=O)c3ccccc3)c2)cc1
InChIInChI=1S/C29H23N3O6/c33-26(34)18-38-25-13-11-22(12-14-25)30-29(37)21-15-23(31-27(35)19-7-3-1-4-8-19)17-24(16-21)32-28(36)20-9-5-2-6-10-20/h1-17H,18H2,(H,30,37)(H,31,35)(H,32,36)(H,33,34)
InChIKeyMFQLPENTOBAAJJ-UHFFFAOYSA-N
XLogP4.91
TPSA133.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.52
LogP ≤ 54.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-benzamidophenoxy)acetic acid
CID 3830392
2-[4-(phenylcarbamoyl)phenoxy]acetic acid
CID 28762607
3,5-dibenzamido-N-phenylbenzamide
CID 17340966
[4-[[3,5-bis[(4-phenoxycarbonyloxybenzoyl)amino]benzoyl]amino]phenyl] phenyl carbonate
CID 118047331
2-[4-[[3-(furan-2-carbonylamino)benzoyl]amino]phenoxy]acetic acid
CID 17172382
2-[4-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
CID 1336713
4-(2-anilino-2-oxoethoxy)-N-phenylbenzamide
CID 10545541
2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid
CID 28762936
4-(2-amino-2-oxoethoxy)-N-phenylbenzamide
CID 27166758
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
2-[4-[(4-cyclobutylbenzoyl)amino]phenoxy]acetic acid
CID 120689771
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3,5-dibenzamidobenzoyl)amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[(3,5-dibenzamidobenzoyl)amino]phenoxy]acetic acid (CID 17172409) is 2-[4-[(3,5-dibenzamidobenzoyl)amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[(3,5-dibenzamidobenzoyl)amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[(3,5-dibenzamidobenzoyl)amino]phenoxy]acetic acid is O=C(O)COc1ccc(NC(=O)c2cc(NC(=O)c3ccccc3)cc(NC(=O)c3ccccc3)c2)cc1.
What is the InChIKey of 2-[4-[(3,5-dibenzamidobenzoyl)amino]phenoxy]acetic acid?
The InChIKey is MFQLPENTOBAAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N3O6/c33-26(34)18-38-25-13-11-22(12-14-25)30-29(37)21-15-23(31-27(35)19-7-3-1-4-8-19)17-24(16-21)32-28(36)20-9-5-2-6-10-20/h1-17H,18H2,(H,30,37)(H,31,35)(H,32,36)(H,33,34).
What are the key properties of 2-[4-[(3,5-dibenzamidobenzoyl)amino]phenoxy]acetic acid?
2-[4-[(3,5-dibenzamidobenzoyl)amino]phenoxy]acetic acid has a molecular weight of 509.52 g/mol, XLogP of 4.91, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3,5-dibenzamidobenzoyl)amino]phenoxy]acetic acid is sourced from PubChem (CID 17172409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).