ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanoate

C16H26N2O3 — CID 61001179

IUPACethyl 2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanoate
SMILESCCOC(=O)C(C)(NCCN(C)C)c1cccc(OC)c1
InChIInChI=1S/C16H26N2O3/c1-6-21-15(19)16(2,17-10-11-18(3)4)13-8-7-9-14(12-13)20-5/h7-9,12,17H,6,10-11H2,1-5H3
InChIKeyHFBMXGZHWCGYOZ-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.62
Rot. Bonds8

About ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanoate

ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanoate (PubChem CID 61001179) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanoate
PubChem CID61001179
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Nameethyl 2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanoate
SMILESCCOC(=O)C(C)(NCCN(C)C)c1cccc(OC)c1
InChIInChI=1S/C16H26N2O3/c1-6-21-15(19)16(2,17-10-11-18(3)4)13-8-7-9-14(12-13)20-5/h7-9,12,17H,6,10-11H2,1-5H3
InChIKeyHFBMXGZHWCGYOZ-UHFFFAOYSA-N
XLogP1.62
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanamide
CID 54891175
ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-hydroxyphenyl)propanoate
CID 61001416
ethyl 2-[2-(dimethylamino)ethylamino]-2-(4-hydroxyphenyl)propanoate
CID 61001287
ethyl 2-[2-(dimethylamino)ethylamino]-2-(2,5-dimethylphenyl)propanoate
CID 61002169
2-[3-(difluoromethoxy)phenyl]-2-[2-(dimethylamino)ethylamino]propanoic acid
CID 61001276
ethyl 2-(4-methoxyphenyl)-2-(propylamino)propanoate
CID 60797164
ethyl 2-(ethylamino)-2-(3-methylphenyl)propanoate
CID 61309873
methyl 2-hydrazinyl-2-(3-methoxyphenyl)propanoate;hydrochloride
CID 155757771
ethyl 2-[2-(diethylamino)ethylamino]-2-pyridin-3-ylpropanoate
CID 60992807
methyl 2-(2,6-difluorophenyl)-2-[2-(dimethylamino)ethylamino]propanoate
CID 61001791
ethyl 3-hydroxy-3,3-bis(3-methoxyphenyl)propanoate
CID 22743437
2-[2-(dimethylamino)ethylamino]-2-(4-ethoxyphenyl)propanamide
CID 60991163

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanoate?
The IUPAC name of ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanoate (CID 61001179) is ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanoate is CCOC(=O)C(C)(NCCN(C)C)c1cccc(OC)c1.
What is the InChIKey of ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanoate?
The InChIKey is HFBMXGZHWCGYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-6-21-15(19)16(2,17-10-11-18(3)4)13-8-7-9-14(12-13)20-5/h7-9,12,17H,6,10-11H2,1-5H3.
What are the key properties of ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanoate?
ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanoate has a molecular weight of 294.40 g/mol, XLogP of 1.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(dimethylamino)ethylamino]-2-(3-methoxyphenyl)propanoate is sourced from PubChem (CID 61001179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).