2,3,3-trichloroprop-2-enyl 5-(cyclohexylamino)-5-oxopentanoate

C14H20Cl3NO3 — CID 2201708

IUPAC2,3,3-trichloroprop-2-enyl 5-(cyclohexylamino)-5-oxopentanoate
SMILESO=C(CCCC(=O)OCC(Cl)=C(Cl)Cl)NC1CCCCC1
InChIInChI=1S/C14H20Cl3NO3/c15-11(14(16)17)9-21-13(20)8-4-7-12(19)18-10-5-2-1-3-6-10/h10H,1-9H2,(H,18,19)
InChIKeyZEEHYALNZRIHKD-UHFFFAOYSA-N
MW356.68 g/mol
LogP4.03
Rot. Bonds7

About 2,3,3-trichloroprop-2-enyl 5-(cyclohexylamino)-5-oxopentanoate

2,3,3-trichloroprop-2-enyl 5-(cyclohexylamino)-5-oxopentanoate (PubChem CID 2201708) has the molecular formula C14H20Cl3NO3 and a molecular weight of 356.68 g/mol. Its IUPAC name is 2,3,3-trichloroprop-2-enyl 5-(cyclohexylamino)-5-oxopentanoate.

Molecular Properties

Compound Name2,3,3-trichloroprop-2-enyl 5-(cyclohexylamino)-5-oxopentanoate
PubChem CID2201708
Molecular FormulaC14H20Cl3NO3
Molecular Weight356.68 g/mol
Exact Mass355.05
IUPAC Name2,3,3-trichloroprop-2-enyl 5-(cyclohexylamino)-5-oxopentanoate
SMILESO=C(CCCC(=O)OCC(Cl)=C(Cl)Cl)NC1CCCCC1
InChIInChI=1S/C14H20Cl3NO3/c15-11(14(16)17)9-21-13(20)8-4-7-12(19)18-10-5-2-1-3-6-10/h10H,1-9H2,(H,18,19)
InChIKeyZEEHYALNZRIHKD-UHFFFAOYSA-N
XLogP4.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.68
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-(cyclopentylamino)-6-oxohexanoate
CID 162372122
5-chloro-N-cyclooctylpentanamide
CID 28733608
methyl 4-[[2-[5-(cyclohexylamino)-5-oxopentanoyl]oxyacetyl]amino]benzoate
CID 9067659
N-cyclohexyl-5-hydroxypentanamide
CID 11367641
3-chloro-N-cycloheptylpropanamide
CID 5152151
N-cycloheptyl-3-methoxypropanamide
CID 110839127
2,3,3-trichloroprop-2-enyl (1S,6S)-6-(cycloheptylcarbamoyl)cyclohex-3-ene-1-carboxylate
CID 40538947
N-cyclohexyltetradecanamide
CID 10244853
N-cycloheptylnonanamide
CID 5045141
[2-(cyclohexylamino)-2-oxoethyl] 4-phenylsulfanylbutanoate
CID 86932164
4-chloro-N-cyclopropylbutanamide
CID 5152347
(2-fluorophenyl) 5-(cyclohexylamino)-5-oxopentanoate
CID 4123166

Frequently Asked Questions

What is the IUPAC name of 2,3,3-trichloroprop-2-enyl 5-(cyclohexylamino)-5-oxopentanoate?
The IUPAC name of 2,3,3-trichloroprop-2-enyl 5-(cyclohexylamino)-5-oxopentanoate (CID 2201708) is 2,3,3-trichloroprop-2-enyl 5-(cyclohexylamino)-5-oxopentanoate.
What is the SMILES notation for 2,3,3-trichloroprop-2-enyl 5-(cyclohexylamino)-5-oxopentanoate?
The canonical SMILES for 2,3,3-trichloroprop-2-enyl 5-(cyclohexylamino)-5-oxopentanoate is O=C(CCCC(=O)OCC(Cl)=C(Cl)Cl)NC1CCCCC1.
What is the InChIKey of 2,3,3-trichloroprop-2-enyl 5-(cyclohexylamino)-5-oxopentanoate?
The InChIKey is ZEEHYALNZRIHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl3NO3/c15-11(14(16)17)9-21-13(20)8-4-7-12(19)18-10-5-2-1-3-6-10/h10H,1-9H2,(H,18,19).
What are the key properties of 2,3,3-trichloroprop-2-enyl 5-(cyclohexylamino)-5-oxopentanoate?
2,3,3-trichloroprop-2-enyl 5-(cyclohexylamino)-5-oxopentanoate has a molecular weight of 356.68 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trichloroprop-2-enyl 5-(cyclohexylamino)-5-oxopentanoate is sourced from PubChem (CID 2201708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).