ethyl 3-(3-cyclopropylphenyl)-3-(diethylamino)propanoate

C18H27NO2 — CID 79971907

IUPACethyl 3-(3-cyclopropylphenyl)-3-(diethylamino)propanoate
SMILESCCOC(=O)CC(c1cccc(C2CC2)c1)N(CC)CC
InChIInChI=1S/C18H27NO2/c1-4-19(5-2)17(13-18(20)21-6-3)16-9-7-8-15(12-16)14-10-11-14/h7-9,12,14,17H,4-6,10-11,13H2,1-3H3
InChIKeyRUOJSRXRDZRDEI-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.90
Rot. Bonds8

About ethyl 3-(3-cyclopropylphenyl)-3-(diethylamino)propanoate

ethyl 3-(3-cyclopropylphenyl)-3-(diethylamino)propanoate (PubChem CID 79971907) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is ethyl 3-(3-cyclopropylphenyl)-3-(diethylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(3-cyclopropylphenyl)-3-(diethylamino)propanoate
PubChem CID79971907
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Nameethyl 3-(3-cyclopropylphenyl)-3-(diethylamino)propanoate
SMILESCCOC(=O)CC(c1cccc(C2CC2)c1)N(CC)CC
InChIInChI=1S/C18H27NO2/c1-4-19(5-2)17(13-18(20)21-6-3)16-9-7-8-15(12-16)14-10-11-14/h7-9,12,14,17H,4-6,10-11,13H2,1-3H3
InChIKeyRUOJSRXRDZRDEI-UHFFFAOYSA-N
XLogP3.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(3-bromophenyl)-3-(diethylamino)propanoate
CID 64542038
1-(3-cyclopropylphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 79984565
ethyl 3-(3-bromo-4-methylphenyl)-3-(diethylamino)propanoate
CID 105403472
N-(cyclobutylmethyl)-1-(3-cyclopropylphenyl)-N-ethylethane-1,2-diamine
CID 107397877
ethyl 3-(3-bromo-4-methoxyphenyl)-3-(diethylamino)propanoate
CID 64540731
1-(3-cyclopropylphenyl)-N,N-dimethylethane-1,2-diamine
CID 79984483
1-(3-cyclopropylphenyl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
CID 79969343
3-(diethylamino)-3-(3-methylphenyl)propanoic acid
CID 64526213
methyl 3-(3-cyclopropylphenyl)-3-(propylamino)propanoate
CID 79976702
methyl 2-chloro-2-(3-cyclopropylphenyl)acetate
CID 79979811
ethyl 3-(2-cyclopropylphenyl)-3-(dimethylamino)propanoate
CID 79982330
ethyl 3-(2,3-dichlorophenyl)-3-(diethylamino)propanoate
CID 64542042

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3-cyclopropylphenyl)-3-(diethylamino)propanoate?
The IUPAC name of ethyl 3-(3-cyclopropylphenyl)-3-(diethylamino)propanoate (CID 79971907) is ethyl 3-(3-cyclopropylphenyl)-3-(diethylamino)propanoate.
What is the SMILES notation for ethyl 3-(3-cyclopropylphenyl)-3-(diethylamino)propanoate?
The canonical SMILES for ethyl 3-(3-cyclopropylphenyl)-3-(diethylamino)propanoate is CCOC(=O)CC(c1cccc(C2CC2)c1)N(CC)CC.
What is the InChIKey of ethyl 3-(3-cyclopropylphenyl)-3-(diethylamino)propanoate?
The InChIKey is RUOJSRXRDZRDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-4-19(5-2)17(13-18(20)21-6-3)16-9-7-8-15(12-16)14-10-11-14/h7-9,12,14,17H,4-6,10-11,13H2,1-3H3.
What are the key properties of ethyl 3-(3-cyclopropylphenyl)-3-(diethylamino)propanoate?
ethyl 3-(3-cyclopropylphenyl)-3-(diethylamino)propanoate has a molecular weight of 289.42 g/mol, XLogP of 3.90, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3-cyclopropylphenyl)-3-(diethylamino)propanoate is sourced from PubChem (CID 79971907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).