2-[2-[2-methoxyethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid

C15H21NO4 — CID 104601741

IUPAC2-[2-[2-methoxyethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid
SMILESCOCCN(C(=O)Cc1ccccc1C(=O)O)C(C)C
InChIInChI=1S/C15H21NO4/c1-11(2)16(8-9-20-3)14(17)10-12-6-4-5-7-13(12)15(18)19/h4-7,11H,8-10H2,1-3H3,(H,18,19)
InChIKeyOIGDSCFIQKYQAP-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.81
Rot. Bonds7

About 2-[2-[2-methoxyethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid

2-[2-[2-methoxyethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid (PubChem CID 104601741) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[2-[2-methoxyethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[2-methoxyethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid
PubChem CID104601741
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2-[2-[2-methoxyethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid
SMILESCOCCN(C(=O)Cc1ccccc1C(=O)O)C(C)C
InChIInChI=1S/C15H21NO4/c1-11(2)16(8-9-20-3)14(17)10-12-6-4-5-7-13(12)15(18)19/h4-7,11H,8-10H2,1-3H3,(H,18,19)
InChIKeyOIGDSCFIQKYQAP-UHFFFAOYSA-N
XLogP1.81
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82949298
2-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid
CID 113354301
2-[2-[(2-amino-2-oxoethyl)-propan-2-ylamino]-2-oxoethyl]benzoic acid
CID 104601355
2-(1H-indol-3-yl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82960282
3-amino-N-(2-methoxyethyl)-3-phenyl-N-propan-2-ylpropanamide
CID 82949172
2-bromo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82952018
2-iodo-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82951561
2-[2-[(2-hydroxy-3-methoxypropyl)-methylamino]-2-oxoethyl]benzoic acid
CID 104601486
3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid
CID 82938747
2-(3-aminophenyl)-N-(2-methoxyethyl)-N-propan-2-ylacetamide
CID 82947951
2-hydrazinyl-N-(2-methoxyethyl)-N-propan-2-ylbenzamide
CID 82960932
2-[2-[3-methoxypropanoyl(methyl)amino]ethyl]benzoic acid
CID 113425626

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-methoxyethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-[2-methoxyethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid (CID 104601741) is 2-[2-[2-methoxyethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-[2-methoxyethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-[2-methoxyethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid is COCCN(C(=O)Cc1ccccc1C(=O)O)C(C)C.
What is the InChIKey of 2-[2-[2-methoxyethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid?
The InChIKey is OIGDSCFIQKYQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-11(2)16(8-9-20-3)14(17)10-12-6-4-5-7-13(12)15(18)19/h4-7,11H,8-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-[2-methoxyethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid?
2-[2-[2-methoxyethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-methoxyethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid is sourced from PubChem (CID 104601741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).