2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid

C13H17NO5 — CID 43309744

IUPAC2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid
SMILESCCN(C)C(=O)COc1ccc(OC)cc1C(=O)O
InChIInChI=1S/C13H17NO5/c1-4-14(2)12(15)8-19-11-6-5-9(18-3)7-10(11)13(16)17/h5-7H,4,8H2,1-3H3,(H,16,17)
InChIKeyLNSUTRFCDPIHJO-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.25
Rot. Bonds6

About 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid

2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid (PubChem CID 43309744) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid
PubChem CID43309744
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid
SMILESCCN(C)C(=O)COc1ccc(OC)cc1C(=O)O
InChIInChI=1S/C13H17NO5/c1-4-14(2)12(15)8-19-11-6-5-9(18-3)7-10(11)13(16)17/h5-7H,4,8H2,1-3H3,(H,16,17)
InChIKeyLNSUTRFCDPIHJO-UHFFFAOYSA-N
XLogP1.25
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-5-methoxyphenoxy)-N-ethyl-N-methylacetamide
CID 102702283
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-nitrobenzoic acid
CID 43472834
5-methoxy-2-(2-methylidenebutoxy)benzoic acid
CID 66047074
2-butoxy-5-methoxybenzoic acid
CID 43213162
4-amino-2-[2-[ethyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 106954840
2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-ethyl-N-methylacetamide
CID 61268758
N-ethyl-2-[4-methoxy-2-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 43309412
2-(2,3-dichloroprop-2-enoxy)-5-methoxybenzoic acid
CID 79167882
3-[2-[ethyl(methyl)amino]-2-oxoethoxy]-4-methylbenzoic acid
CID 61379950
5-methoxy-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 60693177
2-(3-hydroxypropoxy)-5-methoxybenzoic acid
CID 60693366
N-ethyl-2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]-N-methylacetamide
CID 61267271

Frequently Asked Questions

What is the IUPAC name of 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid?
The IUPAC name of 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid (CID 43309744) is 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid.
What is the SMILES notation for 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid?
The canonical SMILES for 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid is CCN(C)C(=O)COc1ccc(OC)cc1C(=O)O.
What is the InChIKey of 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid?
The InChIKey is LNSUTRFCDPIHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-4-14(2)12(15)8-19-11-6-5-9(18-3)7-10(11)13(16)17/h5-7H,4,8H2,1-3H3,(H,16,17).
What are the key properties of 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid?
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid has a molecular weight of 267.28 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid is sourced from PubChem (CID 43309744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).