2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid

C16H26N2O3 — CID 60993501

IUPAC2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid
SMILESCCOc1ccc(C(NCCN(CC)CC)C(=O)O)cc1
InChIInChI=1S/C16H26N2O3/c1-4-18(5-2)12-11-17-15(16(19)20)13-7-9-14(10-8-13)21-6-3/h7-10,15,17H,4-6,11-12H2,1-3H3,(H,19,20)
InChIKeyKHNQHWKLISAOCZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.14
Rot. Bonds10

About 2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid

2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid (PubChem CID 60993501) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid
PubChem CID60993501
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid
SMILESCCOc1ccc(C(NCCN(CC)CC)C(=O)O)cc1
InChIInChI=1S/C16H26N2O3/c1-4-18(5-2)12-11-17-15(16(19)20)13-7-9-14(10-8-13)21-6-3/h7-10,15,17H,4-6,11-12H2,1-3H3,(H,19,20)
InChIKeyKHNQHWKLISAOCZ-UHFFFAOYSA-N
XLogP2.14
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-2-(pentylamino)acetic acid
CID 82344794
2-[2-(diethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]acetic acid
CID 84748929
2-(4-ethoxyphenyl)-2-(2-hydroxypropylamino)acetic acid
CID 82344792
2-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 60994785
2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetonitrile
CID 61005956
2-(4-ethoxyphenyl)-2-[(4-methylphenyl)methylamino]acetic acid
CID 82344798
methyl 2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)acetate
CID 60993508
N-[1-(4-ethoxyphenyl)ethyl]-N'-ethyl-N'-propylethane-1,2-diamine
CID 103787824
2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 54890478
3-[[carboxy-(4-ethoxyphenyl)methyl]-ethylamino]propanoic acid
CID 82345083
2-(4-ethoxyphenyl)-2-[(4-methylpiperazin-1-yl)amino]acetic acid
CID 82344814
2-(2,3-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 60993939

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid (CID 60993501) is 2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid is CCOc1ccc(C(NCCN(CC)CC)C(=O)O)cc1.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid?
The InChIKey is KHNQHWKLISAOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-4-18(5-2)12-11-17-15(16(19)20)13-7-9-14(10-8-13)21-6-3/h7-10,15,17H,4-6,11-12H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid?
2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid has a molecular weight of 294.40 g/mol, XLogP of 2.14, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid is sourced from PubChem (CID 60993501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).