2-[2-(3-methoxypropylamino)-2-oxoethoxy]-4-methylbenzoic acid

C14H19NO5 — CID 45293171

IUPAC2-[2-(3-methoxypropylamino)-2-oxoethoxy]-4-methylbenzoic acid
SMILESCOCCCNC(=O)COc1cc(C)ccc1C(=O)O
InChIInChI=1S/C14H19NO5/c1-10-4-5-11(14(17)18)12(8-10)20-9-13(16)15-6-3-7-19-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyWCIDWSAZVHZPOA-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.22
Rot. Bonds8

About 2-[2-(3-methoxypropylamino)-2-oxoethoxy]-4-methylbenzoic acid

2-[2-(3-methoxypropylamino)-2-oxoethoxy]-4-methylbenzoic acid (PubChem CID 45293171) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[2-(3-methoxypropylamino)-2-oxoethoxy]-4-methylbenzoic acid.

Molecular Properties

Compound Name2-[2-(3-methoxypropylamino)-2-oxoethoxy]-4-methylbenzoic acid
PubChem CID45293171
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[2-(3-methoxypropylamino)-2-oxoethoxy]-4-methylbenzoic acid
SMILESCOCCCNC(=O)COc1cc(C)ccc1C(=O)O
InChIInChI=1S/C14H19NO5/c1-10-4-5-11(14(17)18)12(8-10)20-9-13(16)15-6-3-7-19-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyWCIDWSAZVHZPOA-UHFFFAOYSA-N
XLogP1.22
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(3-methoxypropylamino)-2-oxoethoxy]-4-methylbenzoic 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-[2-(N-hydroxy-C-methylcarbonimidoyl)-5-methylphenoxy]-N-(3-methoxypropyl)acetamide
CID 77003568
2-(2-acetyl-5-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 60701029
2-[2-(2-cyanoethylamino)-2-oxoethoxy]-4-methylbenzoic acid
CID 60712950
4-amino-2-[2-(2-methoxyethylamino)-2-oxoethoxy]benzoic acid
CID 106954846
2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233348
2-amino-5-[2-(3-methoxypropylamino)-2-oxoethoxy]benzoic acid
CID 107077027
2-(2,4-dimethylphenoxy)-N-[3-(2-methoxyethoxy)propyl]acetamide
CID 134029702
N-(3-methoxypropyl)-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 112991225
2-[2-(3-methoxypropylamino)-2-oxoethoxy]-3-methylbenzoic acid
CID 60910671
2-(2,5-dimethylphenoxy)-N-heptylacetamide
CID 3468528
3-[2-(3-methoxypropylamino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 61380362
2-(2-acetylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60626030

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxypropylamino)-2-oxoethoxy]-4-methylbenzoic acid?
The IUPAC name of 2-[2-(3-methoxypropylamino)-2-oxoethoxy]-4-methylbenzoic acid (CID 45293171) is 2-[2-(3-methoxypropylamino)-2-oxoethoxy]-4-methylbenzoic acid.
What is the SMILES notation for 2-[2-(3-methoxypropylamino)-2-oxoethoxy]-4-methylbenzoic acid?
The canonical SMILES for 2-[2-(3-methoxypropylamino)-2-oxoethoxy]-4-methylbenzoic acid is COCCCNC(=O)COc1cc(C)ccc1C(=O)O.
What is the InChIKey of 2-[2-(3-methoxypropylamino)-2-oxoethoxy]-4-methylbenzoic acid?
The InChIKey is WCIDWSAZVHZPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-10-4-5-11(14(17)18)12(8-10)20-9-13(16)15-6-3-7-19-2/h4-5,8H,3,6-7,9H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[2-(3-methoxypropylamino)-2-oxoethoxy]-4-methylbenzoic acid?
2-[2-(3-methoxypropylamino)-2-oxoethoxy]-4-methylbenzoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxypropylamino)-2-oxoethoxy]-4-methylbenzoic acid is sourced from PubChem (CID 45293171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).