4-[2-[2-[(4-methoxybenzoyl)amino]phenoxy]ethoxy]benzoic acid

C23H21NO6 — CID 68690130

IUPAC4-[2-[2-[(4-methoxybenzoyl)amino]phenoxy]ethoxy]benzoic acid
SMILESCOc1ccc(C(=O)Nc2ccccc2OCCOc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C23H21NO6/c1-28-18-10-6-16(7-11-18)22(25)24-20-4-2-3-5-21(20)30-15-14-29-19-12-8-17(9-13-19)23(26)27/h2-13H,14-15H2,1H3,(H,24,25)(H,26,27)
InChIKeyYWRHAFSOAZRLAD-UHFFFAOYSA-N
MW407.42 g/mol
LogP4.10
Rot. Bonds9

About 4-[2-[2-[(4-methoxybenzoyl)amino]phenoxy]ethoxy]benzoic acid

4-[2-[2-[(4-methoxybenzoyl)amino]phenoxy]ethoxy]benzoic acid (PubChem CID 68690130) has the molecular formula C23H21NO6 and a molecular weight of 407.42 g/mol. Its IUPAC name is 4-[2-[2-[(4-methoxybenzoyl)amino]phenoxy]ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-[2-[(4-methoxybenzoyl)amino]phenoxy]ethoxy]benzoic acid
PubChem CID68690130
Molecular FormulaC23H21NO6
Molecular Weight407.42 g/mol
Exact Mass407.14
IUPAC Name4-[2-[2-[(4-methoxybenzoyl)amino]phenoxy]ethoxy]benzoic acid
SMILESCOc1ccc(C(=O)Nc2ccccc2OCCOc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C23H21NO6/c1-28-18-10-6-16(7-11-18)22(25)24-20-4-2-3-5-21(20)30-15-14-29-19-12-8-17(9-13-19)23(26)27/h2-13H,14-15H2,1H3,(H,24,25)(H,26,27)
InChIKeyYWRHAFSOAZRLAD-UHFFFAOYSA-N
XLogP4.10
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.42
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-phenoxyethoxy)phenyl]-4-phenylbenzamide
CID 17130808
4-[2-[2-[(2-fluorobenzoyl)amino]phenoxy]ethoxy]benzoic acid
CID 68692642
N-[2-[(4-butoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 10811951
4-[2-[2-[(4-ethylbenzoyl)amino]phenoxy]ethoxy]benzoic acid;4-[2-[2-(thiophene-2-carbonylamino)phenoxy]ethoxy]benzoic acid
CID 161453027
N-(2-ethoxyphenyl)-4-[(4-methoxybenzoyl)amino]benzamide
CID 2222263
1-N,4-N-bis(2-butoxyphenyl)benzene-1,4-dicarboxamide
CID 17087319
N-[2-(2-phenoxyethoxy)phenyl]pyridine-4-carboxamide
CID 17130921
4-hexoxy-N-(2-methoxyphenyl)benzamide
CID 4933658
N-(2-methoxyphenyl)-4-[(4-propoxybenzoyl)amino]benzamide
CID 4879742
N-[(2-methoxyphenyl)carbamothioyl]-4-(2-phenoxyethoxy)benzamide
CID 4953061
3-[4-[(2-methoxyphenyl)carbamoyl]phenoxy]-2,2-dimethylpropanoic acid
CID 20991308
benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-[(4-methoxybenzoyl)amino]phenoxy]ethoxy]benzoic acid?
The IUPAC name of 4-[2-[2-[(4-methoxybenzoyl)amino]phenoxy]ethoxy]benzoic acid (CID 68690130) is 4-[2-[2-[(4-methoxybenzoyl)amino]phenoxy]ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-[2-[(4-methoxybenzoyl)amino]phenoxy]ethoxy]benzoic acid?
The canonical SMILES for 4-[2-[2-[(4-methoxybenzoyl)amino]phenoxy]ethoxy]benzoic acid is COc1ccc(C(=O)Nc2ccccc2OCCOc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[2-[2-[(4-methoxybenzoyl)amino]phenoxy]ethoxy]benzoic acid?
The InChIKey is YWRHAFSOAZRLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO6/c1-28-18-10-6-16(7-11-18)22(25)24-20-4-2-3-5-21(20)30-15-14-29-19-12-8-17(9-13-19)23(26)27/h2-13H,14-15H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 4-[2-[2-[(4-methoxybenzoyl)amino]phenoxy]ethoxy]benzoic acid?
4-[2-[2-[(4-methoxybenzoyl)amino]phenoxy]ethoxy]benzoic acid has a molecular weight of 407.42 g/mol, XLogP of 4.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[(4-methoxybenzoyl)amino]phenoxy]ethoxy]benzoic acid is sourced from PubChem (CID 68690130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).