ethyl 3-[2-(2-amino-2-oxoethoxy)ethylamino]cyclohexane-1-carboxylate

C13H24N2O4 — CID 106235025

IUPACethyl 3-[2-(2-amino-2-oxoethoxy)ethylamino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCC(NCCOCC(N)=O)C1
InChIInChI=1S/C13H24N2O4/c1-2-19-13(17)10-4-3-5-11(8-10)15-6-7-18-9-12(14)16/h10-11,15H,2-9H2,1H3,(H2,14,16)
InChIKeyRTCRFZRIQJZZOG-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.20
Rot. Bonds8

About ethyl 3-[2-(2-amino-2-oxoethoxy)ethylamino]cyclohexane-1-carboxylate

ethyl 3-[2-(2-amino-2-oxoethoxy)ethylamino]cyclohexane-1-carboxylate (PubChem CID 106235025) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is ethyl 3-[2-(2-amino-2-oxoethoxy)ethylamino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[2-(2-amino-2-oxoethoxy)ethylamino]cyclohexane-1-carboxylate
PubChem CID106235025
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nameethyl 3-[2-(2-amino-2-oxoethoxy)ethylamino]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCC(NCCOCC(N)=O)C1
InChIInChI=1S/C13H24N2O4/c1-2-19-13(17)10-4-3-5-11(8-10)15-6-7-18-9-12(14)16/h10-11,15H,2-9H2,1H3,(H2,14,16)
InChIKeyRTCRFZRIQJZZOG-UHFFFAOYSA-N
XLogP0.20
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(4-methylcycloheptyl)amino]ethoxy]acetamide
CID 106235412
ethyl 3-(2-prop-2-ynylsulfanylethylamino)cyclohexane-1-carboxylate
CID 104879739
ethyl 3-(2-prop-2-enylsulfanylethylamino)cyclohexane-1-carboxylate
CID 104879733
2-[2-[(2-ethyloxan-4-yl)amino]ethoxy]acetamide
CID 106236551
ethyl 3-(2-thiomorpholin-4-ylethylamino)cyclohexane-1-carboxylate
CID 104879700
1-O-ethyl 3-O-methyl cyclohexane-1,3-dicarboxylate
CID 66983859
2-[2-[(4,4-dimethylcyclohexyl)amino]ethoxy]acetamide
CID 106235196
2-[2-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]ethoxy]acetamide
CID 106235673
2-[2-[(4-propan-2-ylcyclohexyl)amino]ethoxy]acetamide
CID 106236541
2-[2-[(1,1-dioxothiolan-3-yl)amino]ethoxy]acetamide
CID 106236546
ethyl 3-[2-[cyclopropyl(methyl)amino]propylamino]cyclohexane-1-carboxylate
CID 104879694
ethyl 3-[(1,4-dimethylpiperidin-4-yl)methylamino]cyclohexane-1-carboxylate
CID 104879773

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(2-amino-2-oxoethoxy)ethylamino]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 3-[2-(2-amino-2-oxoethoxy)ethylamino]cyclohexane-1-carboxylate (CID 106235025) is ethyl 3-[2-(2-amino-2-oxoethoxy)ethylamino]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 3-[2-(2-amino-2-oxoethoxy)ethylamino]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 3-[2-(2-amino-2-oxoethoxy)ethylamino]cyclohexane-1-carboxylate is CCOC(=O)C1CCCC(NCCOCC(N)=O)C1.
What is the InChIKey of ethyl 3-[2-(2-amino-2-oxoethoxy)ethylamino]cyclohexane-1-carboxylate?
The InChIKey is RTCRFZRIQJZZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-2-19-13(17)10-4-3-5-11(8-10)15-6-7-18-9-12(14)16/h10-11,15H,2-9H2,1H3,(H2,14,16).
What are the key properties of ethyl 3-[2-(2-amino-2-oxoethoxy)ethylamino]cyclohexane-1-carboxylate?
ethyl 3-[2-(2-amino-2-oxoethoxy)ethylamino]cyclohexane-1-carboxylate has a molecular weight of 272.34 g/mol, XLogP of 0.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(2-amino-2-oxoethoxy)ethylamino]cyclohexane-1-carboxylate is sourced from PubChem (CID 106235025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).