ethyl 2-[2-(dimethylamino)ethylamino]-2-(4-hydroxyphenyl)propanoate

C15H24N2O3 — CID 61001287

IUPACethyl 2-[2-(dimethylamino)ethylamino]-2-(4-hydroxyphenyl)propanoate
SMILESCCOC(=O)C(C)(NCCN(C)C)c1ccc(O)cc1
InChIInChI=1S/C15H24N2O3/c1-5-20-14(19)15(2,16-10-11-17(3)4)12-6-8-13(18)9-7-12/h6-9,16,18H,5,10-11H2,1-4H3
InChIKeyKKLBVIAQNIKLLO-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.32
Rot. Bonds7

About ethyl 2-[2-(dimethylamino)ethylamino]-2-(4-hydroxyphenyl)propanoate

ethyl 2-[2-(dimethylamino)ethylamino]-2-(4-hydroxyphenyl)propanoate (PubChem CID 61001287) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 2-[2-(dimethylamino)ethylamino]-2-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-[2-(dimethylamino)ethylamino]-2-(4-hydroxyphenyl)propanoate
PubChem CID61001287
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nameethyl 2-[2-(dimethylamino)ethylamino]-2-(4-hydroxyphenyl)propanoate
SMILESCCOC(=O)C(C)(NCCN(C)C)c1ccc(O)cc1
InChIInChI=1S/C15H24N2O3/c1-5-20-14(19)15(2,16-10-11-17(3)4)12-6-8-13(18)9-7-12/h6-9,16,18H,5,10-11H2,1-4H3
InChIKeyKKLBVIAQNIKLLO-UHFFFAOYSA-N
XLogP1.32
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-hydroxyphenyl)propanoate
CID 61001416
ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanoate
CID 61001179
ethyl 2-[2-(dimethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanoate
CID 61002169
2-[2-(dimethylamino)ethylamino]-2-(4-ethoxyphenyl)propanamide
CID 60991163
ethyl 2-(propylamino)-2-[4-(trifluoromethyl)phenyl]propanoate
CID 60796515
ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate
CID 60797164
ethyl 2-(4-ethoxyphenyl)-2-(propylamino)propanoate
CID 60795500
ethyl 2-(4-propan-2-ylphenyl)-2-(propylamino)propanoate
CID 60796519
2-[2-(dimethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]propanamide
CID 60995360
2-(4-bromophenyl)-2-[2-(dimethylamino)ethylamino]propanamide
CID 54891318
ethyl 2-(4-methylsulfonylphenyl)-2-(propylamino)propanoate
CID 60796388
ethyl 2-[4-(dimethylamino)phenyl]-2-(prop-2-ynylamino)propanoate
CID 62365825

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(dimethylamino)ethylamino]-2-(4-hydroxyphenyl)propanoate?
The IUPAC name of ethyl 2-[2-(dimethylamino)ethylamino]-2-(4-hydroxyphenyl)propanoate (CID 61001287) is ethyl 2-[2-(dimethylamino)ethylamino]-2-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-[2-(dimethylamino)ethylamino]-2-(4-hydroxyphenyl)propanoate?
The canonical SMILES for ethyl 2-[2-(dimethylamino)ethylamino]-2-(4-hydroxyphenyl)propanoate is CCOC(=O)C(C)(NCCN(C)C)c1ccc(O)cc1.
What is the InChIKey of ethyl 2-[2-(dimethylamino)ethylamino]-2-(4-hydroxyphenyl)propanoate?
The InChIKey is KKLBVIAQNIKLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-20-14(19)15(2,16-10-11-17(3)4)12-6-8-13(18)9-7-12/h6-9,16,18H,5,10-11H2,1-4H3.
What are the key properties of ethyl 2-[2-(dimethylamino)ethylamino]-2-(4-hydroxyphenyl)propanoate?
ethyl 2-[2-(dimethylamino)ethylamino]-2-(4-hydroxyphenyl)propanoate has a molecular weight of 280.37 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(dimethylamino)ethylamino]-2-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 61001287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).