cyclohexyl 4-(diethylamino)-2-ethyl-4-oxobutanoate

C16H29NO3 — CID 58332881

IUPACcyclohexyl 4-(diethylamino)-2-ethyl-4-oxobutanoate
SMILESCCC(CC(=O)N(CC)CC)C(=O)OC1CCCCC1
InChIInChI=1S/C16H29NO3/c1-4-13(12-15(18)17(5-2)6-3)16(19)20-14-10-8-7-9-11-14/h13-14H,4-12H2,1-3H3
InChIKeyPQGUDJVFKBJGDF-UHFFFAOYSA-N
MW283.41 g/mol
LogP3.15
Rot. Bonds7

About cyclohexyl 4-(diethylamino)-2-ethyl-4-oxobutanoate

cyclohexyl 4-(diethylamino)-2-ethyl-4-oxobutanoate (PubChem CID 58332881) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is cyclohexyl 4-(diethylamino)-2-ethyl-4-oxobutanoate.

Molecular Properties

Compound Namecyclohexyl 4-(diethylamino)-2-ethyl-4-oxobutanoate
PubChem CID58332881
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Namecyclohexyl 4-(diethylamino)-2-ethyl-4-oxobutanoate
SMILESCCC(CC(=O)N(CC)CC)C(=O)OC1CCCCC1
InChIInChI=1S/C16H29NO3/c1-4-13(12-15(18)17(5-2)6-3)16(19)20-14-10-8-7-9-11-14/h13-14H,4-12H2,1-3H3
InChIKeyPQGUDJVFKBJGDF-UHFFFAOYSA-N
XLogP3.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclohexyl 2-(aminomethyl)butanoate
CID 65220233
4-O-cyclohexyl 1-O-(diethylamino) 2-ethylbutanedioate
CID 174671057
4-(diethylamino)-2-ethyl-4-oxobutanoic acid
CID 112515205
3-cyclohexyloxycarbonylheptanoic acid
CID 175582119
cyclopentyl 2-aminobutanoate;hydrochloride
CID 175315314
cyclobutyl N,N-diethylcarbamate
CID 89379531
cyclopentyl 2-ethoxypropanoate
CID 173270406
cyclopentyl 2-aminobutanoate;molecular hydrogen
CID 143574438
cyclohexyl 2-ethoxypentanoate
CID 70132370
tetracyclohexyl butane-1,2,3,4-tetracarboxylate
CID 91735158
cyclobutyl 2,3-dimethylpentanoate
CID 174713613
cycloheptyl 3-amino-2-methylpropanoate
CID 62668819

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-(diethylamino)-2-ethyl-4-oxobutanoate?
The IUPAC name of cyclohexyl 4-(diethylamino)-2-ethyl-4-oxobutanoate (CID 58332881) is cyclohexyl 4-(diethylamino)-2-ethyl-4-oxobutanoate.
What is the SMILES notation for cyclohexyl 4-(diethylamino)-2-ethyl-4-oxobutanoate?
The canonical SMILES for cyclohexyl 4-(diethylamino)-2-ethyl-4-oxobutanoate is CCC(CC(=O)N(CC)CC)C(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 4-(diethylamino)-2-ethyl-4-oxobutanoate?
The InChIKey is PQGUDJVFKBJGDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO3/c1-4-13(12-15(18)17(5-2)6-3)16(19)20-14-10-8-7-9-11-14/h13-14H,4-12H2,1-3H3.
What are the key properties of cyclohexyl 4-(diethylamino)-2-ethyl-4-oxobutanoate?
cyclohexyl 4-(diethylamino)-2-ethyl-4-oxobutanoate has a molecular weight of 283.41 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-(diethylamino)-2-ethyl-4-oxobutanoate is sourced from PubChem (CID 58332881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).