2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetic acid

C15H21NO5 — CID 879607

IUPAC2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetic acid
SMILESCCN(CC)C(=O)COc1ccc(CC(=O)O)cc1OC
InChIInChI=1S/C15H21NO5/c1-4-16(5-2)14(17)10-21-12-7-6-11(9-15(18)19)8-13(12)20-3/h6-8H,4-5,9-10H2,1-3H3,(H,18,19)
InChIKeyKGCLIEPBSVRBJU-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.57
Rot. Bonds8

About 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetic acid

2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetic acid (PubChem CID 879607) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetic acid
PubChem CID879607
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetic acid
SMILESCCN(CC)C(=O)COc1ccc(CC(=O)O)cc1OC
InChIInChI=1S/C15H21NO5/c1-4-16(5-2)14(17)10-21-12-7-6-11(9-15(18)19)8-13(12)20-3/h6-8H,4-5,9-10H2,1-3H3,(H,18,19)
InChIKeyKGCLIEPBSVRBJU-UHFFFAOYSA-N
XLogP1.57
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-(4-ethyl-2-methoxyphenoxy)acetamide
CID 154118386
N,N-diethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 60626763
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
N,N-diethyl-2-[5-(ethylaminomethyl)-2-methoxyphenoxy]acetamide
CID 43278782
2-(3-methoxy-4-pentoxyphenyl)acetic acid
CID 7139436
2-(4-carbamothioyl-2-methoxyphenoxy)-N,N-diethylacetamide
CID 24690581
N,N-diethyl-2-(2-methoxy-4-prop-1-enylphenoxy)acetamide
CID 78766081
N-benzyl-N-ethyl-2-(2-methoxyphenoxy)acetamide
CID 78762319
2-(2,5-dichlorophenoxy)-N-[(3,4-dimethoxyphenyl)methyl]-N-ethylacetamide
CID 55398454
2-(4-heptyl-2-methoxyphenoxy)acetic acid
CID 154352108
methyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]-ethylamino]acetate
CID 61383632
N-butyl-N-ethyl-2-(2-methoxy-4-methylphenoxy)acetamide
CID 78785126

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetic acid?
The IUPAC name of 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetic acid (CID 879607) is 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetic acid is CCN(CC)C(=O)COc1ccc(CC(=O)O)cc1OC.
What is the InChIKey of 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetic acid?
The InChIKey is KGCLIEPBSVRBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-4-16(5-2)14(17)10-21-12-7-6-11(9-15(18)19)8-13(12)20-3/h6-8H,4-5,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetic acid?
2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetic acid has a molecular weight of 295.34 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-methoxyphenyl]acetic acid is sourced from PubChem (CID 879607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).