2-[3-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid

C20H22N2O5 — CID 17297148

IUPAC2-[3-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
SMILESCC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cccc(OCC(=O)O)c2)cc1
InChIInChI=1S/C20H22N2O5/c1-20(2,3)19(26)22-14-9-7-13(8-10-14)18(25)21-15-5-4-6-16(11-15)27-12-17(23)24/h4-11H,12H2,1-3H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyVOGQARJXPQCOHV-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.39
Rot. Bonds6

About 2-[3-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid

2-[3-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid (PubChem CID 17297148) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[3-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
PubChem CID17297148
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2-[3-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
SMILESCC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cccc(OCC(=O)O)c2)cc1
InChIInChI=1S/C20H22N2O5/c1-20(2,3)19(26)22-14-9-7-13(8-10-14)18(25)21-15-5-4-6-16(11-15)27-12-17(23)24/h4-11H,12H2,1-3H3,(H,21,25)(H,22,26)(H,23,24)
InChIKeyVOGQARJXPQCOHV-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-[4-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
CID 1336713
4-[[2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetyl]amino]benzoic acid
CID 18870384
2-[3-(2,2-dimethylbutanoylamino)phenoxy]acetic acid
CID 62678206
N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide
CID 38160075
2-[3-[[4-(2-methylbutan-2-ylcarbamoyl)phenyl]carbamoyl]phenoxy]acetic acid
CID 119181827
tert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate
CID 55901961
4-chloro-N-[3-(3,3-dimethyl-2-oxobutoxy)phenyl]benzamide
CID 19645276
2-[4-(phenylcarbamoyl)phenoxy]acetic acid
CID 28762607
2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid
CID 28762936
2-[3-[(3-aminobenzoyl)amino]phenoxy]acetic acid
CID 63772021
2-[3-[(3-chlorobenzoyl)amino]phenoxy]acetic acid
CID 61058711
2-[3-(phenylcarbamoylamino)phenoxy]acetic acid
CID 61057845

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid (CID 17297148) is 2-[3-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid is CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cccc(OCC(=O)O)c2)cc1.
What is the InChIKey of 2-[3-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid?
The InChIKey is VOGQARJXPQCOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-20(2,3)19(26)22-14-9-7-13(8-10-14)18(25)21-15-5-4-6-16(11-15)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-[3-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid?
2-[3-[[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-[3-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid is sourced from PubChem (CID 17297148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).