2-[4-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid

C20H22N2O5 — CID 1336713

IUPAC2-[4-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
SMILESCC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(OCC(=O)O)cc2)cc1
InChIInChI=1S/C20H22N2O5/c1-20(2,3)19(26)22-15-6-4-13(5-7-15)18(25)21-14-8-10-16(11-9-14)27-12-17(23)24/h4-11H,12H2,1-3H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeySWCLRBOYMNNTHU-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.39
Rot. Bonds6

About 2-[4-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid

2-[4-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid (PubChem CID 1336713) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[4-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
PubChem CID1336713
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2-[4-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
SMILESCC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(OCC(=O)O)cc2)cc1
InChIInChI=1S/C20H22N2O5/c1-20(2,3)19(26)22-15-6-4-13(5-7-15)18(25)21-14-8-10-16(11-9-14)27-12-17(23)24/h4-11H,12H2,1-3H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeySWCLRBOYMNNTHU-UHFFFAOYSA-N
XLogP3.39
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
CID 17297148
2-[4-(phenylcarbamoyl)phenoxy]acetic acid
CID 28762607
2-(4-benzamidophenoxy)acetic acid
CID 3830392
2-[4-[[(2R)-2-methyl-2-propoxybutanoyl]amino]phenoxy]acetic acid
CID 100737138
2-[4-[(2-methyl-2-propoxybutanoyl)amino]phenoxy]acetic acid
CID 133246947
2-[4-[(3,5-dibenzamidobenzoyl)amino]phenoxy]acetic acid
CID 17172409
2-[4-[(4-tert-butylbenzoyl)amino]phenoxy]acetate
CID 6952976
2-[4-[[(2R)-2-methoxy-2-methylpentanoyl]amino]phenoxy]acetic acid
CID 100696982
2-[4-[(4-cyclobutylbenzoyl)amino]phenoxy]acetic acid
CID 120689771
4-[[2-(4-methoxyphenoxy)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2710766
2-[4-[[2-[(2-methylpropan-2-yl)oxy]acetyl]amino]phenoxy]acetic acid
CID 115949264
4-(2-methoxyethoxy)-N-[4-(2-methoxyethoxy)phenyl]benzamide
CID 15943272

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[4-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid (CID 1336713) is 2-[4-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid is CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(OCC(=O)O)cc2)cc1.
What is the InChIKey of 2-[4-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid?
The InChIKey is SWCLRBOYMNNTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-20(2,3)19(26)22-15-6-4-13(5-7-15)18(25)21-14-8-10-16(11-9-14)27-12-17(23)24/h4-11H,12H2,1-3H3,(H,21,25)(H,22,26)(H,23,24).
What are the key properties of 2-[4-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid?
2-[4-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid has a molecular weight of 370.41 g/mol, XLogP of 3.39, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 1336713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).