4-[4-[[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-2-methoxybenzoyl]amino]methyl]phenoxy]benzoic acid

C26H23N3O7 — CID 66585371

IUPAC4-[4-[[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-2-methoxybenzoyl]amino]methyl]phenoxy]benzoic acid
SMILESCOc1ccc(CN2CC(=O)NC2=O)cc1C(=O)NCc1ccc(Oc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C26H23N3O7/c1-35-22-11-4-17(14-29-15-23(30)28-26(29)34)12-21(22)24(31)27-13-16-2-7-19(8-3-16)36-20-9-5-18(6-10-20)25(32)33/h2-12H,13-15H2,1H3,(H,27,31)(H,32,33)(H,28,30,34)
InChIKeyGMROHNUILGEKBL-UHFFFAOYSA-N
MW489.48 g/mol
LogP3.17
Rot. Bonds9

About 4-[4-[[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-2-methoxybenzoyl]amino]methyl]phenoxy]benzoic acid

4-[4-[[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-2-methoxybenzoyl]amino]methyl]phenoxy]benzoic acid (PubChem CID 66585371) has the molecular formula C26H23N3O7 and a molecular weight of 489.48 g/mol. Its IUPAC name is 4-[4-[[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-2-methoxybenzoyl]amino]methyl]phenoxy]benzoic acid.

Molecular Properties

Compound Name4-[4-[[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-2-methoxybenzoyl]amino]methyl]phenoxy]benzoic acid
PubChem CID66585371
Molecular FormulaC26H23N3O7
Molecular Weight489.48 g/mol
Exact Mass489.15
IUPAC Name4-[4-[[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-2-methoxybenzoyl]amino]methyl]phenoxy]benzoic acid
SMILESCOc1ccc(CN2CC(=O)NC2=O)cc1C(=O)NCc1ccc(Oc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C26H23N3O7/c1-35-22-11-4-17(14-29-15-23(30)28-26(29)34)12-21(22)24(31)27-13-16-2-7-19(8-3-16)36-20-9-5-18(6-10-20)25(32)33/h2-12H,13-15H2,1H3,(H,27,31)(H,32,33)(H,28,30,34)
InChIKeyGMROHNUILGEKBL-UHFFFAOYSA-N
XLogP3.17
TPSA134.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.48
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[4-[[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-2-methoxybenzoyl]amino]methyl]phenoxy]benzoic acid with MolForge

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Related Compounds

N-[[4-(4-carbamoylphenoxy)phenyl]methyl]-5-[(2,4-dioxoimidazolidin-1-yl)methyl]-2-methoxybenzamide
CID 66585406
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-methoxy-5-[[3-(2-morpholin-4-ylethyl)-2,4-dioxoimidazolidin-1-yl]methyl]benzamide
CID 66585405
4-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]benzoic acid
CID 162755933
(2S)-3-[3-[[4-(4-fluorophenoxy)phenyl]methylcarbamoyl]-4-methoxyphenyl]-2-methylpropanoic acid
CID 58031797
N-benzyl-5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxybenzamide
CID 7945607
1-N,3-N-bis[(4-fluorophenyl)methyl]-4-methoxybenzene-1,3-dicarboxamide
CID 71761549
4-[[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoic acid;methyl 4-[[[5-chloro-2-(4-fluorophenoxy)benzoyl]amino]methyl]benzoate
CID 162055040
(2S)-2-[[3-[[4-(4-hydroxyphenoxy)phenyl]methylcarbamoyl]-4-methoxyphenyl]methyl]pentanoic acid
CID 139985268
N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide
CID 115577613
methyl 5-[[[4-(4-carbamoylphenoxy)benzoyl]amino]methyl]-2-methoxybenzoate
CID 56545707
5-[(1,3-dioxoisoindol-2-yl)methyl]-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 7916782
4-[[(3-chloro-4-methoxybenzoyl)amino]methyl]benzoic acid
CID 17171911

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-2-methoxybenzoyl]amino]methyl]phenoxy]benzoic acid?
The IUPAC name of 4-[4-[[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-2-methoxybenzoyl]amino]methyl]phenoxy]benzoic acid (CID 66585371) is 4-[4-[[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-2-methoxybenzoyl]amino]methyl]phenoxy]benzoic acid.
What is the SMILES notation for 4-[4-[[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-2-methoxybenzoyl]amino]methyl]phenoxy]benzoic acid?
The canonical SMILES for 4-[4-[[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-2-methoxybenzoyl]amino]methyl]phenoxy]benzoic acid is COc1ccc(CN2CC(=O)NC2=O)cc1C(=O)NCc1ccc(Oc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[4-[[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-2-methoxybenzoyl]amino]methyl]phenoxy]benzoic acid?
The InChIKey is GMROHNUILGEKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O7/c1-35-22-11-4-17(14-29-15-23(30)28-26(29)34)12-21(22)24(31)27-13-16-2-7-19(8-3-16)36-20-9-5-18(6-10-20)25(32)33/h2-12H,13-15H2,1H3,(H,27,31)(H,32,33)(H,28,30,34).
What are the key properties of 4-[4-[[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-2-methoxybenzoyl]amino]methyl]phenoxy]benzoic acid?
4-[4-[[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-2-methoxybenzoyl]amino]methyl]phenoxy]benzoic acid has a molecular weight of 489.48 g/mol, XLogP of 3.17, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[[5-[(2,4-dioxoimidazolidin-1-yl)methyl]-2-methoxybenzoyl]amino]methyl]phenoxy]benzoic acid is sourced from PubChem (CID 66585371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).