4-[2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]ethoxy]benzoic acid

C15H22N2O4 — CID 61449179

IUPAC4-[2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]ethoxy]benzoic acid
SMILESCCN(CCOc1ccc(C(=O)O)cc1)CC(=O)N(C)C
InChIInChI=1S/C15H22N2O4/c1-4-17(11-14(18)16(2)3)9-10-21-13-7-5-12(6-8-13)15(19)20/h5-8H,4,9-11H2,1-3H3,(H,19,20)
InChIKeyRYOZMTCLIZQAAL-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.17
Rot. Bonds8

About 4-[2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]ethoxy]benzoic acid

4-[2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]ethoxy]benzoic acid (PubChem CID 61449179) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]ethoxy]benzoic acid.

Molecular Properties

Compound Name4-[2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]ethoxy]benzoic acid
PubChem CID61449179
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-[2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]ethoxy]benzoic acid
SMILESCCN(CCOc1ccc(C(=O)O)cc1)CC(=O)N(C)C
InChIInChI=1S/C15H22N2O4/c1-4-17(11-14(18)16(2)3)9-10-21-13-7-5-12(6-8-13)15(19)20/h5-8H,4,9-11H2,1-3H3,(H,19,20)
InChIKeyRYOZMTCLIZQAAL-UHFFFAOYSA-N
XLogP1.17
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-[methyl(propyl)amino]propoxy]benzoic acid
CID 63069119
2-[4-[(E)-3-[4-[2-(diethylamino)ethoxy]phenyl]but-2-en-2-yl]phenoxy]-N,N-diethylethanamine
CID 3038049
2-[ethyl(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 135183389
4-[2-[methyl(3-methylbutan-2-yl)amino]ethoxy]benzoic acid
CID 43570292
N,N-diethyl-2,2-dimethylpropan-1-amine;4-ethoxybenzoic acid;hydrochloride
CID 20976319
ethane;4-octoxybenzoic acid
CID 144740890
4-[3-[ethyl(propan-2-yl)amino]propoxy]benzoic acid
CID 63068770
4-[(dipropylamino)methoxy]benzoic acid
CID 20993709
2-[2-(4-fluorophenoxy)ethyl-methylamino]-N,N-dimethylacetamide
CID 51073531
4-[2-[ethyl(propyl)amino]ethoxy]benzohydrazide
CID 55213633
4-[2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethoxy]benzoic acid
CID 107480835
2-[2-(2-carbamothioylphenoxy)ethyl-ethylamino]-N,N-dimethylacetamide
CID 61448716

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]ethoxy]benzoic acid?
The IUPAC name of 4-[2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]ethoxy]benzoic acid (CID 61449179) is 4-[2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]ethoxy]benzoic acid.
What is the SMILES notation for 4-[2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]ethoxy]benzoic acid?
The canonical SMILES for 4-[2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]ethoxy]benzoic acid is CCN(CCOc1ccc(C(=O)O)cc1)CC(=O)N(C)C.
What is the InChIKey of 4-[2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]ethoxy]benzoic acid?
The InChIKey is RYOZMTCLIZQAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-4-17(11-14(18)16(2)3)9-10-21-13-7-5-12(6-8-13)15(19)20/h5-8H,4,9-11H2,1-3H3,(H,19,20).
What are the key properties of 4-[2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]ethoxy]benzoic acid?
4-[2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]ethoxy]benzoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.17, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]ethoxy]benzoic acid is sourced from PubChem (CID 61449179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).