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

C19H20N2O5 — CID 45434962

IUPAC2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid
SMILESCCOc1ccc(CC(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cc1
InChIInChI=1S/C19H20N2O5/c1-2-26-16-9-3-13(4-10-16)11-17(22)21-15-7-5-14(6-8-15)19(25)20-12-18(23)24/h3-10H,2,11-12H2,1H3,(H,20,25)(H,21,22)(H,23,24)
InChIKeyIPAYXJPLMAXJML-UHFFFAOYSA-N
MW356.38 g/mol
LogP2.08
Rot. Bonds8

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

2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid (PubChem CID 45434962) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid
PubChem CID45434962
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid
SMILESCCOc1ccc(CC(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cc1
InChIInChI=1S/C19H20N2O5/c1-2-26-16-9-3-13(4-10-16)11-17(22)21-15-7-5-14(6-8-15)19(25)20-12-18(23)24/h3-10H,2,11-12H2,1H3,(H,20,25)(H,21,22)(H,23,24)
InChIKeyIPAYXJPLMAXJML-UHFFFAOYSA-N
XLogP2.08
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-[[2-[4-(2-methylpropoxy)phenyl]acetyl]amino]benzoyl]amino]acetic acid
CID 119220369
4-ethoxy-N-[2-(4-fluoroanilino)-2-oxoethyl]benzamide
CID 9416291
N-[2-(4-ethoxyanilino)-2-oxoethyl]-4-fluorobenzamide
CID 2967136
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884932
methyl 2-[[4-[[2-(4-ethoxyphenoxy)acetyl]amino]benzoyl]amino]acetate
CID 46637026
N-(4-ethoxyphenyl)-4-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide
CID 55486447
2-(4-bromophenyl)-N-(4-ethoxyphenyl)acetamide
CID 2268503
N-(4-ethoxyphenyl)-2-(4-fluorophenyl)acetamide
CID 2289388
N-(4-bromophenyl)-2-(4-ethoxyphenyl)acetamide
CID 8719858
N-[2-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethylamino]-2-oxoethyl]benzamide
CID 108539279
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017
N-benzyl-4-[[2-(4-ethoxyanilino)acetyl]amino]benzamide
CID 54810964

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid (CID 45434962) is 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid is CCOc1ccc(CC(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)cc1.
What is the InChIKey of 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid?
The InChIKey is IPAYXJPLMAXJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-2-26-16-9-3-13(4-10-16)11-17(22)21-15-7-5-14(6-8-15)19(25)20-12-18(23)24/h3-10H,2,11-12H2,1H3,(H,20,25)(H,21,22)(H,23,24).
What are the key properties of 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid?
2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid has a molecular weight of 356.38 g/mol, XLogP of 2.08, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[2-(4-ethoxyphenyl)acetyl]amino]benzoyl]amino]acetic acid is sourced from PubChem (CID 45434962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).