4-[[2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetyl]amino]benzoic acid

C20H22N2O5 — CID 18870384

IUPAC4-[[2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetyl]amino]benzoic acid
SMILESCC(C)(C)C(=O)Nc1cccc(OCC(=O)Nc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C20H22N2O5/c1-20(2,3)19(26)22-15-5-4-6-16(11-15)27-12-17(23)21-14-9-7-13(8-10-14)18(24)25/h4-11H,12H2,1-3H3,(H,21,23)(H,22,26)(H,24,25)
InChIKeyMQFMBHKPIUKYRJ-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.39
Rot. Bonds6

About 4-[[2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetyl]amino]benzoic acid

4-[[2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetyl]amino]benzoic acid (PubChem CID 18870384) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-[[2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-[[2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetyl]amino]benzoic acid
PubChem CID18870384
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name4-[[2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetyl]amino]benzoic acid
SMILESCC(C)(C)C(=O)Nc1cccc(OCC(=O)Nc2ccc(C(=O)O)cc2)c1
InChIInChI=1S/C20H22N2O5/c1-20(2,3)19(26)22-15-5-4-6-16(11-15)27-12-17(23)21-14-9-7-13(8-10-14)18(24)25/h4-11H,12H2,1-3H3,(H,21,23)(H,22,26)(H,24,25)
InChIKeyMQFMBHKPIUKYRJ-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

Analyze 4-[[2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetyl]amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[[4-(2,2-dimethylpropanoylamino)benzoyl]amino]phenoxy]acetic acid
CID 17297148
N-[3-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]-2,2-dimethylpropanamide
CID 18870351
N-[3-(2-amino-2-oxoethoxy)phenyl]-2,2-dimethylpropanamide
CID 38160075
tert-butyl N-[4-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]phenyl]carbamate
CID 55901961
3-[2-(4-fluoroanilino)-2-oxoethoxy]benzoic acid
CID 900818
N-[3-[[2-(4-bromo-3-methylphenoxy)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17204545
3-[2-(3,4-dimethylanilino)-2-oxoethoxy]benzoic acid
CID 45417235
(4-phenoxyphenyl) 2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetate
CID 18870391
2-(3-methoxyphenoxy)-N-(3-methoxyphenyl)acetamide
CID 19204025
4-[2-(3-iodoanilino)-2-oxoethoxy]benzoic acid
CID 43214190
N-[3-[2-(4-fluoroanilino)-2-oxoethoxy]phenyl]propanamide
CID 18870253
N-[3-[2-oxo-2-(4-phenoxyanilino)ethoxy]phenyl]benzamide
CID 18870214

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetyl]amino]benzoic acid?
The IUPAC name of 4-[[2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetyl]amino]benzoic acid (CID 18870384) is 4-[[2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetyl]amino]benzoic acid.
What is the SMILES notation for 4-[[2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetyl]amino]benzoic acid?
The canonical SMILES for 4-[[2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetyl]amino]benzoic acid is CC(C)(C)C(=O)Nc1cccc(OCC(=O)Nc2ccc(C(=O)O)cc2)c1.
What is the InChIKey of 4-[[2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetyl]amino]benzoic acid?
The InChIKey is MQFMBHKPIUKYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-20(2,3)19(26)22-15-5-4-6-16(11-15)27-12-17(23)21-14-9-7-13(8-10-14)18(24)25/h4-11H,12H2,1-3H3,(H,21,23)(H,22,26)(H,24,25).
What are the key properties of 4-[[2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetyl]amino]benzoic acid?
4-[[2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetyl]amino]benzoic 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 4-[[2-[3-(2,2-dimethylpropanoylamino)phenoxy]acetyl]amino]benzoic acid is sourced from PubChem (CID 18870384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).