ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-ethylamino]acetate

C15H28N2O3 — CID 62026563

IUPACethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-ethylamino]acetate
SMILESCCOC(=O)CN(CC)CCC(=O)NC1CCCCC1
InChIInChI=1S/C15H28N2O3/c1-3-17(12-15(19)20-4-2)11-10-14(18)16-13-8-6-5-7-9-13/h13H,3-12H2,1-2H3,(H,16,18)
InChIKeyTXYGBGVOLWVRMK-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.71
Rot. Bonds8

About ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-ethylamino]acetate

ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-ethylamino]acetate (PubChem CID 62026563) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-ethylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-ethylamino]acetate
PubChem CID62026563
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nameethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-ethylamino]acetate
SMILESCCOC(=O)CN(CC)CCC(=O)NC1CCCCC1
InChIInChI=1S/C15H28N2O3/c1-3-17(12-15(19)20-4-2)11-10-14(18)16-13-8-6-5-7-9-13/h13H,3-12H2,1-2H3,(H,16,18)
InChIKeyTXYGBGVOLWVRMK-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 62028525
2-[[3-(cyclopropylamino)-3-oxopropyl]-ethylamino]acetic acid
CID 62627778
N-cyclohexyl-3-(dipropylamino)propanamide
CID 109014002
N-cyclohexyl-3-[ethyl-(2-hydroxy-2-methylpropyl)amino]propanamide
CID 78964192
N-cycloheptyl-2-[ethyl(2-hydroxyethyl)amino]acetamide
CID 60685926
3-[2-aminoethyl(ethyl)amino]-N-cyclopropylpropanamide
CID 62626817
N-cyclohexyl-3-[ethyl(piperidin-2-ylmethyl)amino]propanamide
CID 106632493
ethyl 2-[2-(cyclooctylamino)-2-oxoethyl]sulfanylacetate
CID 78760581
2-[2-cyanoethyl(ethyl)amino]-N-cyclohexylacetamide
CID 54992919
ethyl 2-[[1-(cyclopentylamino)-1-oxopropan-2-yl]-ethylamino]acetate
CID 62026180
3-[butyl(2-hydroxyethyl)amino]-N-cyclohexylpropanamide
CID 62016596
N'-cycloheptyl-N-[3-(diethylamino)propyl]butanediamide
CID 46993948

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-ethylamino]acetate?
The IUPAC name of ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-ethylamino]acetate (CID 62026563) is ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-ethylamino]acetate.
What is the SMILES notation for ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-ethylamino]acetate?
The canonical SMILES for ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-ethylamino]acetate is CCOC(=O)CN(CC)CCC(=O)NC1CCCCC1.
What is the InChIKey of ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-ethylamino]acetate?
The InChIKey is TXYGBGVOLWVRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-17(12-15(19)20-4-2)11-10-14(18)16-13-8-6-5-7-9-13/h13H,3-12H2,1-2H3,(H,16,18).
What are the key properties of ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-ethylamino]acetate?
ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-ethylamino]acetate has a molecular weight of 284.40 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-ethylamino]acetate is sourced from PubChem (CID 62026563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).