4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid

C18H19NO4 — CID 45347528

IUPAC4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid
SMILESCOc1ccc(CC(=O)NCCc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C18H19NO4/c1-23-16-8-4-14(5-9-16)12-17(20)19-11-10-13-2-6-15(7-3-13)18(21)22/h2-9H,10-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyJFFOWGJXAGQEAO-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.29
Rot. Bonds7

About 4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid

4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid (PubChem CID 45347528) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid.

Molecular Properties

Compound Name4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid
PubChem CID45347528
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid
SMILESCOc1ccc(CC(=O)NCCc2ccc(C(=O)O)cc2)cc1
InChIInChI=1S/C18H19NO4/c1-23-16-8-4-14(5-9-16)12-17(20)19-11-10-13-2-6-15(7-3-13)18(21)22/h2-9H,10-12H2,1H3,(H,19,20)(H,21,22)
InChIKeyJFFOWGJXAGQEAO-UHFFFAOYSA-N
XLogP2.29
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]-2-phenylacetamide
CID 27548820
4-[2-(4-methoxyphenyl)ethylamino]benzoic acid
CID 62231026
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 40692952
4-[3-(4-methoxyphenyl)propyl]benzoic acid
CID 102282707
4-[2-[(2,4-dimethoxybenzoyl)amino]ethyl]benzoic acid
CID 45347543
4-[3-[2-(2,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]benzoic acid
CID 119182295
2-(3,4-dihydroxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113199037
4-N-[2-(4-methoxyphenyl)ethyl]-1-N-propylbenzene-1,4-dicarboxamide
CID 109042916
4-hydroxy-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 79017762
2-(4-methoxyphenyl)-N-[2-(4-morpholin-4-ylphenyl)ethyl]acetamide
CID 16889551
3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoic acid
CID 45396627
methyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate
CID 36774109

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid?
The IUPAC name of 4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid (CID 45347528) is 4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid.
What is the SMILES notation for 4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid?
The canonical SMILES for 4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid is COc1ccc(CC(=O)NCCc2ccc(C(=O)O)cc2)cc1.
What is the InChIKey of 4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid?
The InChIKey is JFFOWGJXAGQEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-23-16-8-4-14(5-9-16)12-17(20)19-11-10-13-2-6-15(7-3-13)18(21)22/h2-9H,10-12H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid?
4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid has a molecular weight of 313.35 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(4-methoxyphenyl)acetyl]amino]ethyl]benzoic acid is sourced from PubChem (CID 45347528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).