3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoic acid

C18H19NO5 — CID 45396627

IUPAC3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoic acid
SMILESCOc1ccc(CCNC(=O)COc2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C18H19NO5/c1-23-15-7-5-13(6-8-15)9-10-19-17(20)12-24-16-4-2-3-14(11-16)18(21)22/h2-8,11H,9-10,12H2,1H3,(H,19,20)(H,21,22)
InChIKeyPTYKLWZAYCHWRL-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.13
Rot. Bonds8

About 3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoic acid

3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoic acid (PubChem CID 45396627) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is 3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoic acid
PubChem CID45396627
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Name3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoic acid
SMILESCOc1ccc(CCNC(=O)COc2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C18H19NO5/c1-23-15-7-5-13(6-8-15)9-10-19-17(20)12-24-16-4-2-3-14(11-16)18(21)22/h2-8,11H,9-10,12H2,1H3,(H,19,20)(H,21,22)
InChIKeyPTYKLWZAYCHWRL-UHFFFAOYSA-N
XLogP2.13
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 36774109
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3-methoxy-N-[2-[[2-(4-propylphenoxy)acetyl]amino]ethyl]benzamide
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2-(3-acetylphenoxy)-N-[(6-methoxynaphthalen-2-yl)methyl]acetamide
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3-[2-[(2-methoxyacetyl)amino]ethyl]benzoic acid
CID 63795093
N-[2-(4-methoxyphenyl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 748766
3-[2-oxo-2-(3-propan-2-yloxypropylamino)ethoxy]benzoic acid
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2-(2-cyanophenoxy)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 2565568
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Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoic acid?
The IUPAC name of 3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoic acid (CID 45396627) is 3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoic acid?
The canonical SMILES for 3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoic acid is COc1ccc(CCNC(=O)COc2cccc(C(=O)O)c2)cc1.
What is the InChIKey of 3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoic acid?
The InChIKey is PTYKLWZAYCHWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-23-15-7-5-13(6-8-15)9-10-19-17(20)12-24-16-4-2-3-14(11-16)18(21)22/h2-8,11H,9-10,12H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoic acid?
3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoic acid has a molecular weight of 329.35 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 45396627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).