ethyl 3-(2-cyclopropylphenyl)-3-(dimethylamino)propanoate

C16H23NO2 — CID 79982330

IUPACethyl 3-(2-cyclopropylphenyl)-3-(dimethylamino)propanoate
SMILESCCOC(=O)CC(c1ccccc1C1CC1)N(C)C
InChIInChI=1S/C16H23NO2/c1-4-19-16(18)11-15(17(2)3)14-8-6-5-7-13(14)12-9-10-12/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeyYPXDUIYKESPRJW-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.12
Rot. Bonds6

About ethyl 3-(2-cyclopropylphenyl)-3-(dimethylamino)propanoate

ethyl 3-(2-cyclopropylphenyl)-3-(dimethylamino)propanoate (PubChem CID 79982330) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is ethyl 3-(2-cyclopropylphenyl)-3-(dimethylamino)propanoate.

Molecular Properties

Compound Nameethyl 3-(2-cyclopropylphenyl)-3-(dimethylamino)propanoate
PubChem CID79982330
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nameethyl 3-(2-cyclopropylphenyl)-3-(dimethylamino)propanoate
SMILESCCOC(=O)CC(c1ccccc1C1CC1)N(C)C
InChIInChI=1S/C16H23NO2/c1-4-19-16(18)11-15(17(2)3)14-8-6-5-7-13(14)12-9-10-12/h5-8,12,15H,4,9-11H2,1-3H3
InChIKeyYPXDUIYKESPRJW-UHFFFAOYSA-N
XLogP3.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(dimethylamino)-3-(2-methylphenyl)propanoate
CID 64540717
ethyl 2-(2-cyclopropylphenyl)-2-[2-(dimethylamino)ethylamino]acetate
CID 79972888
ethyl 3-(2-cyclopropylphenyl)-3-oxopropanoate
CID 170994001
ethyl 2-(2-cyclopropylphenyl)-2-(2-methylpropylamino)acetate
CID 79983186
ethyl 4-(2-cyclopropylphenyl)-4-oxobutanoate
CID 79977029
ethyl 2-cyclopropylbenzoate
CID 118105330
1-(2-cyclopropylphenyl)-N-methyl-N-phenylethane-1,2-diamine
CID 79983171
4-amino-3-(2-cyclopropylphenyl)hexanoic acid
CID 79982337
ethyl 3-(3-cyclopropylphenyl)-3-(diethylamino)propanoate
CID 79971907
4-amino-3-(2-cyclopropylphenyl)pentanoic acid
CID 79983405
ethyl 3-(dimethylamino)-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 83093864
ethyl 3-[ethoxycarbonyl(ethyl)amino]-3-phenylpropanoate
CID 134521272

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-cyclopropylphenyl)-3-(dimethylamino)propanoate?
The IUPAC name of ethyl 3-(2-cyclopropylphenyl)-3-(dimethylamino)propanoate (CID 79982330) is ethyl 3-(2-cyclopropylphenyl)-3-(dimethylamino)propanoate.
What is the SMILES notation for ethyl 3-(2-cyclopropylphenyl)-3-(dimethylamino)propanoate?
The canonical SMILES for ethyl 3-(2-cyclopropylphenyl)-3-(dimethylamino)propanoate is CCOC(=O)CC(c1ccccc1C1CC1)N(C)C.
What is the InChIKey of ethyl 3-(2-cyclopropylphenyl)-3-(dimethylamino)propanoate?
The InChIKey is YPXDUIYKESPRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-4-19-16(18)11-15(17(2)3)14-8-6-5-7-13(14)12-9-10-12/h5-8,12,15H,4,9-11H2,1-3H3.
What are the key properties of ethyl 3-(2-cyclopropylphenyl)-3-(dimethylamino)propanoate?
ethyl 3-(2-cyclopropylphenyl)-3-(dimethylamino)propanoate has a molecular weight of 261.37 g/mol, XLogP of 3.12, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-cyclopropylphenyl)-3-(dimethylamino)propanoate is sourced from PubChem (CID 79982330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).