ethyl 3-(4-chlorophenyl)-3-(diethylamino)butanoate

C16H24ClNO2 — CID 64539061

IUPACethyl 3-(4-chlorophenyl)-3-(diethylamino)butanoate
SMILESCCOC(=O)CC(C)(c1ccc(Cl)cc1)N(CC)CC
InChIInChI=1S/C16H24ClNO2/c1-5-18(6-2)16(4,12-15(19)20-7-3)13-8-10-14(17)11-9-13/h8-11H,5-7,12H2,1-4H3
InChIKeyZFKNISWVEXFRGA-UHFFFAOYSA-N
MW297.83 g/mol
LogP3.85
Rot. Bonds7

About ethyl 3-(4-chlorophenyl)-3-(diethylamino)butanoate

ethyl 3-(4-chlorophenyl)-3-(diethylamino)butanoate (PubChem CID 64539061) has the molecular formula C16H24ClNO2 and a molecular weight of 297.83 g/mol. Its IUPAC name is ethyl 3-(4-chlorophenyl)-3-(diethylamino)butanoate.

Molecular Properties

Compound Nameethyl 3-(4-chlorophenyl)-3-(diethylamino)butanoate
PubChem CID64539061
Molecular FormulaC16H24ClNO2
Molecular Weight297.83 g/mol
Exact Mass297.15
IUPAC Nameethyl 3-(4-chlorophenyl)-3-(diethylamino)butanoate
SMILESCCOC(=O)CC(C)(c1ccc(Cl)cc1)N(CC)CC
InChIInChI=1S/C16H24ClNO2/c1-5-18(6-2)16(4,12-15(19)20-7-3)13-8-10-14(17)11-9-13/h8-11H,5-7,12H2,1-4H3
InChIKeyZFKNISWVEXFRGA-UHFFFAOYSA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-(diethylamino)-3-(3,4-difluorophenyl)butanoate
CID 64540103
ethyl 3-(4-tert-butylphenyl)-3-(dimethylamino)butanoate
CID 64541814
ethyl 3-(3-bromophenyl)-3-(diethylamino)butanoate
CID 64539273
ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
CID 160629016
ethyl 3-(4-chlorophenyl)-3-pyrrolidin-1-ylbutanoate
CID 64527625
3-(4-tert-butylphenyl)-3-(diethylamino)butanoic acid
CID 64526621
ethyl 3-(4-chlorophenyl)-3-cyclopropyl-3-(dimethylamino)propanoate
CID 64539059
ethyl 2-(4-chlorophenyl)-2,3-dimethylbutanoate
CID 117047943
3-(diethylamino)-3-(4-ethylphenyl)butanoic acid
CID 64527978
ethyl 3-(4-chlorophenyl)-3-pyrrolidin-1-ylpentanoate
CID 64526458
ethyl 3-amino-2-(4-chlorophenyl)-2-hydroxypropanoate
CID 85373846
ethyl (3S)-3-(3,4-difluorophenyl)-3-hydroxybutanoate
CID 94425144

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-chlorophenyl)-3-(diethylamino)butanoate?
The IUPAC name of ethyl 3-(4-chlorophenyl)-3-(diethylamino)butanoate (CID 64539061) is ethyl 3-(4-chlorophenyl)-3-(diethylamino)butanoate.
What is the SMILES notation for ethyl 3-(4-chlorophenyl)-3-(diethylamino)butanoate?
The canonical SMILES for ethyl 3-(4-chlorophenyl)-3-(diethylamino)butanoate is CCOC(=O)CC(C)(c1ccc(Cl)cc1)N(CC)CC.
What is the InChIKey of ethyl 3-(4-chlorophenyl)-3-(diethylamino)butanoate?
The InChIKey is ZFKNISWVEXFRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClNO2/c1-5-18(6-2)16(4,12-15(19)20-7-3)13-8-10-14(17)11-9-13/h8-11H,5-7,12H2,1-4H3.
What are the key properties of ethyl 3-(4-chlorophenyl)-3-(diethylamino)butanoate?
ethyl 3-(4-chlorophenyl)-3-(diethylamino)butanoate has a molecular weight of 297.83 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-chlorophenyl)-3-(diethylamino)butanoate is sourced from PubChem (CID 64539061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).