2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)propanoic acid

C16H26N2O3 — CID 60994370

IUPAC2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)propanoic acid
SMILESCCN(CC)CCNC(C)(C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C16H26N2O3/c1-5-18(6-2)12-11-17-16(3,15(19)20)13-7-9-14(21-4)10-8-13/h7-10,17H,5-6,11-12H2,1-4H3,(H,19,20)
InChIKeyYDCFAYBGNWXFLO-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.93
Rot. Bonds9

About 2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)propanoic acid

2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)propanoic acid (PubChem CID 60994370) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)propanoic acid
PubChem CID60994370
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)propanoic acid
SMILESCCN(CC)CCNC(C)(C(=O)O)c1ccc(OC)cc1
InChIInChI=1S/C16H26N2O3/c1-5-18(6-2)12-11-17-16(3,15(19)20)13-7-9-14(21-4)10-8-13/h7-10,17H,5-6,11-12H2,1-4H3,(H,19,20)
InChIKeyYDCFAYBGNWXFLO-UHFFFAOYSA-N
XLogP1.93
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(diethylamino)ethylamino]-2-(4-methylphenyl)propanoic acid
CID 60994645
2-(4-methoxyphenyl)-2-(propylamino)propanoic acid
CID 43754043
2-(2-aminoethylamino)-2-(4-methoxyphenyl)propanoic acid
CID 114990603
2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)butan-1-ol
CID 61048016
methyl 2-[2-(diethylamino)ethylamino]-2-pyridin-4-ylpropanoate
CID 60993800
2-(ethylamino)-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 43753875
2-[2-(diethylamino)ethylamino]-2-(4-ethylphenyl)propanamide
CID 60995324
ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate
CID 60797164
2-(4-ethylphenyl)-2-(2-methoxyethylamino)propanoic acid
CID 55070744
(2S)-2-(4-methoxyphenyl)-2-(2,2,2-trichloroethoxycarbonylamino)propanoic acid
CID 169081160
4-(diethylamino)-2-(4-methoxyphenyl)-1-phenylbutan-2-ol
CID 134112226
2-[2-(diethylamino)ethylamino]-2-(2-methoxyphenyl)propanamide
CID 60995329

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)propanoic acid?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)propanoic acid (CID 60994370) is 2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)propanoic acid.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)propanoic acid?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)propanoic acid is CCN(CC)CCNC(C)(C(=O)O)c1ccc(OC)cc1.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)propanoic acid?
The InChIKey is YDCFAYBGNWXFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-5-18(6-2)12-11-17-16(3,15(19)20)13-7-9-14(21-4)10-8-13/h7-10,17H,5-6,11-12H2,1-4H3,(H,19,20).
What are the key properties of 2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)propanoic acid?
2-[2-(diethylamino)ethylamino]-2-(4-methoxyphenyl)propanoic acid has a molecular weight of 294.40 g/mol, XLogP of 1.93, 9 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-methoxyphenyl)propanoic acid is sourced from PubChem (CID 60994370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).