ethyl 6-[6-(ethoxycarbonylamino)hexanoylamino]hexanoate

C17H32N2O5 — CID 91705286

IUPACethyl 6-[6-(ethoxycarbonylamino)hexanoylamino]hexanoate
SMILESCCOC(=O)CCCCCNC(=O)CCCCCNC(=O)OCC
InChIInChI=1S/C17H32N2O5/c1-3-23-16(21)12-8-6-9-13-18-15(20)11-7-5-10-14-19-17(22)24-4-2/h3-14H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyZOYULCCGMRNMCO-UHFFFAOYSA-N
MW344.45 g/mol
LogP2.53
Rot. Bonds14

About ethyl 6-[6-(ethoxycarbonylamino)hexanoylamino]hexanoate

ethyl 6-[6-(ethoxycarbonylamino)hexanoylamino]hexanoate (PubChem CID 91705286) has the molecular formula C17H32N2O5 and a molecular weight of 344.45 g/mol. Its IUPAC name is ethyl 6-[6-(ethoxycarbonylamino)hexanoylamino]hexanoate.

Molecular Properties

Compound Nameethyl 6-[6-(ethoxycarbonylamino)hexanoylamino]hexanoate
PubChem CID91705286
Molecular FormulaC17H32N2O5
Molecular Weight344.45 g/mol
Exact Mass344.23
IUPAC Nameethyl 6-[6-(ethoxycarbonylamino)hexanoylamino]hexanoate
SMILESCCOC(=O)CCCCCNC(=O)CCCCCNC(=O)OCC
InChIInChI=1S/C17H32N2O5/c1-3-23-16(21)12-8-6-9-13-18-15(20)11-7-5-10-14-19-17(22)24-4-2/h3-14H2,1-2H3,(H,18,20)(H,19,22)
InChIKeyZOYULCCGMRNMCO-UHFFFAOYSA-N
XLogP2.53
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.45
LogP ≤ 52.53
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

ethyl 4-(ethoxycarbonylamino)butanoate
CID 14140662
ethyl 5-(butanoylamino)pentanoate
CID 131842627
ethyl 4-(pentanoylamino)butanoate
CID 60654722
ethyl 6-[(4-ethoxy-4-oxobutyl)carbamoylamino]hexanoate
CID 3344425
ethyl 4-[4-(methylamino)butanoylamino]butanoate;hydrochloride
CID 119726258
5-[(4-ethoxy-4-oxobutyl)amino]-5-oxopentanoic acid
CID 64576360
methyl 6-[6-(methoxycarbonylamino)hexanoylamino]hexanoate
CID 22088707
ethyl N-(6-bromohexyl)carbamate
CID 87279639
[4-(octylamino)-4-oxobutyl] octadecanoate
CID 153438746
ethyl 4-(hept-6-ynoylamino)butanoate
CID 103907596
methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate
CID 71625530
diethyl icosanedioate
CID 5058538

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[6-(ethoxycarbonylamino)hexanoylamino]hexanoate?
The IUPAC name of ethyl 6-[6-(ethoxycarbonylamino)hexanoylamino]hexanoate (CID 91705286) is ethyl 6-[6-(ethoxycarbonylamino)hexanoylamino]hexanoate.
What is the SMILES notation for ethyl 6-[6-(ethoxycarbonylamino)hexanoylamino]hexanoate?
The canonical SMILES for ethyl 6-[6-(ethoxycarbonylamino)hexanoylamino]hexanoate is CCOC(=O)CCCCCNC(=O)CCCCCNC(=O)OCC.
What is the InChIKey of ethyl 6-[6-(ethoxycarbonylamino)hexanoylamino]hexanoate?
The InChIKey is ZOYULCCGMRNMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O5/c1-3-23-16(21)12-8-6-9-13-18-15(20)11-7-5-10-14-19-17(22)24-4-2/h3-14H2,1-2H3,(H,18,20)(H,19,22).
What are the key properties of ethyl 6-[6-(ethoxycarbonylamino)hexanoylamino]hexanoate?
ethyl 6-[6-(ethoxycarbonylamino)hexanoylamino]hexanoate has a molecular weight of 344.45 g/mol, XLogP of 2.53, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[6-(ethoxycarbonylamino)hexanoylamino]hexanoate is sourced from PubChem (CID 91705286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).