2-[[4-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]benzoyl]amino]acetic acid

C20H22N2O5 — CID 119220475

IUPAC2-[[4-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]benzoyl]amino]acetic acid
SMILESCC(C)Oc1ccccc1CC(=O)Nc1ccc(C(=O)NCC(=O)O)cc1
InChIInChI=1S/C20H22N2O5/c1-13(2)27-17-6-4-3-5-15(17)11-18(23)22-16-9-7-14(8-10-16)20(26)21-12-19(24)25/h3-10,13H,11-12H2,1-2H3,(H,21,26)(H,22,23)(H,24,25)
InChIKeyIDCJSXUNQWJBDZ-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.47
Rot. Bonds8

About 2-[[4-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]benzoyl]amino]acetic acid

2-[[4-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]benzoyl]amino]acetic acid (PubChem CID 119220475) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[[4-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]benzoyl]amino]acetic acid
PubChem CID119220475
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2-[[4-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]benzoyl]amino]acetic acid
SMILESCC(C)Oc1ccccc1CC(=O)Nc1ccc(C(=O)NCC(=O)O)cc1
InChIInChI=1S/C20H22N2O5/c1-13(2)27-17-6-4-3-5-15(17)11-18(23)22-16-9-7-14(8-10-16)20(26)21-12-19(24)25/h3-10,13H,11-12H2,1-2H3,(H,21,26)(H,22,23)(H,24,25)
InChIKeyIDCJSXUNQWJBDZ-UHFFFAOYSA-N
XLogP2.47
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetic acid
CID 119218421
4-benzamido-N-[[2-(difluoromethoxy)phenyl]methyl]benzamide
CID 24659050
2-[[4-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]benzoyl]amino]acetic acid
CID 119220369
2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetic acid
CID 24694310
2-[[4-[[2-(2-chlorophenoxy)acetyl]amino]benzoyl]amino]acetic acid
CID 45434890
2-[[2-[4-[[2-(3-propan-2-yloxyphenyl)acetyl]amino]phenyl]acetyl]amino]acetic acid
CID 119224414
2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid
CID 45434962
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741
2-[[4-(3-methylhexanoylamino)benzoyl]amino]acetic acid
CID 119220462
2-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]propanoic acid
CID 119225488
1-N-phenyl-4-N-(2-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109049242
4-chloro-N-[2-oxo-2-(2-propan-2-yloxyanilino)ethyl]benzamide
CID 112999004

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]benzoyl]amino]acetic acid (CID 119220475) is 2-[[4-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]benzoyl]amino]acetic acid is CC(C)Oc1ccccc1CC(=O)Nc1ccc(C(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[[4-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]benzoyl]amino]acetic acid?
The InChIKey is IDCJSXUNQWJBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-13(2)27-17-6-4-3-5-15(17)11-18(23)22-16-9-7-14(8-10-16)20(26)21-12-19(24)25/h3-10,13H,11-12H2,1-2H3,(H,21,26)(H,22,23)(H,24,25).
What are the key properties of 2-[[4-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]benzoyl]amino]acetic acid?
2-[[4-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]benzoyl]amino]acetic acid has a molecular weight of 370.41 g/mol, XLogP of 2.47, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[2-(2-propan-2-yloxyphenyl)acetyl]amino]benzoyl]amino]acetic acid is sourced from PubChem (CID 119220475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).