4-(dicyclohexylamino)-4-oxobutanoate

C16H26NO3- — CID 40784781

IUPAC4-(dicyclohexylamino)-4-oxobutanoate
SMILESO=C([O-])CCC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H27NO3/c18-15(11-12-16(19)20)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h13-14H,1-12H2,(H,19,20)/p-1
InChIKeyVFNKILUAADEGCH-UHFFFAOYSA-M
MW280.39 g/mol
LogP2.01
Rot. Bonds5

About 4-(dicyclohexylamino)-4-oxobutanoate

4-(dicyclohexylamino)-4-oxobutanoate (PubChem CID 40784781) has the molecular formula C16H26NO3- and a molecular weight of 280.39 g/mol. Its IUPAC name is 4-(dicyclohexylamino)-4-oxobutanoate.

Molecular Properties

Compound Name4-(dicyclohexylamino)-4-oxobutanoate
PubChem CID40784781
Molecular FormulaC16H26NO3-
Molecular Weight280.39 g/mol
Exact Mass280.19
IUPAC Name4-(dicyclohexylamino)-4-oxobutanoate
SMILESO=C([O-])CCC(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H27NO3/c18-15(11-12-16(19)20)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h13-14H,1-12H2,(H,19,20)/p-1
InChIKeyVFNKILUAADEGCH-UHFFFAOYSA-M
XLogP2.01
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dicyclohexyl-2-iodoacetamide
CID 71405486
zinc bis(3-(dicyclohexylamino)propanoate)
CID 70302332
N,N-dicyclohexyl-3-(cyclopropylamino)propanamide
CID 60842293
2-[3,5-bis[2-(dicyclohexylamino)-2-oxoethoxy]cyclohexyl]oxy-N,N-dicyclohexylacetamide
CID 86183778
N',N'-dicyclohexyl-N-hydroxypropanediamide
CID 3049615
N,N'-dicyclohexyl-N,N'-diethyltetradecanediamide
CID 20752264
N',N'-dicyclohexylpropanediamide;titanium(2+);dichloride
CID 173136057
hexyl 4-(dicyclohexylamino)-4-oxobutanoate
CID 91701072
3-amino-N-cyclohexyl-N-ethylpropanamide
CID 16786481
2-[2-(dicyclohexylamino)-2-oxoethyl]sulfanylacetic acid
CID 115569413
N,N-dicyclohexyl-5-morpholin-4-ylpentanamide
CID 67746963
2-(tert-butylamino)-N,N-dicyclohexylacetamide
CID 78907368

Frequently Asked Questions

What is the IUPAC name of 4-(dicyclohexylamino)-4-oxobutanoate?
The IUPAC name of 4-(dicyclohexylamino)-4-oxobutanoate (CID 40784781) is 4-(dicyclohexylamino)-4-oxobutanoate.
What is the SMILES notation for 4-(dicyclohexylamino)-4-oxobutanoate?
The canonical SMILES for 4-(dicyclohexylamino)-4-oxobutanoate is O=C([O-])CCC(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 4-(dicyclohexylamino)-4-oxobutanoate?
The InChIKey is VFNKILUAADEGCH-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H27NO3/c18-15(11-12-16(19)20)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h13-14H,1-12H2,(H,19,20)/p-1.
What are the key properties of 4-(dicyclohexylamino)-4-oxobutanoate?
4-(dicyclohexylamino)-4-oxobutanoate has a molecular weight of 280.39 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dicyclohexylamino)-4-oxobutanoate is sourced from PubChem (CID 40784781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).