ethyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate

C16H30N2O5 — CID 91718604

IUPACethyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate
SMILESCCCCC(NC(=O)OC)C(=O)NC(CCCC)C(=O)OCC
InChIInChI=1S/C16H30N2O5/c1-5-8-10-12(18-16(21)22-4)14(19)17-13(11-9-6-2)15(20)23-7-3/h12-13H,5-11H2,1-4H3,(H,17,19)(H,18,21)
InChIKeyRMUAWELXQCNHDF-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.14
Rot. Bonds11

About ethyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate

ethyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate (PubChem CID 91718604) has the molecular formula C16H30N2O5 and a molecular weight of 330.43 g/mol. Its IUPAC name is ethyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate.

Molecular Properties

Compound Nameethyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate
PubChem CID91718604
Molecular FormulaC16H30N2O5
Molecular Weight330.43 g/mol
Exact Mass330.22
IUPAC Nameethyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate
SMILESCCCCC(NC(=O)OC)C(=O)NC(CCCC)C(=O)OCC
InChIInChI=1S/C16H30N2O5/c1-5-8-10-12(18-16(21)22-4)14(19)17-13(11-9-6-2)15(20)23-7-3/h12-13H,5-11H2,1-4H3,(H,17,19)(H,18,21)
InChIKeyRMUAWELXQCNHDF-UHFFFAOYSA-N
XLogP2.14
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate?
The IUPAC name of ethyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate (CID 91718604) is ethyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate.
What is the SMILES notation for ethyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate?
The canonical SMILES for ethyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate is CCCCC(NC(=O)OC)C(=O)NC(CCCC)C(=O)OCC.
What is the InChIKey of ethyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate?
The InChIKey is RMUAWELXQCNHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O5/c1-5-8-10-12(18-16(21)22-4)14(19)17-13(11-9-6-2)15(20)23-7-3/h12-13H,5-11H2,1-4H3,(H,17,19)(H,18,21).
What are the key properties of ethyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate?
ethyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate has a molecular weight of 330.43 g/mol, XLogP of 2.14, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(methoxycarbonylamino)hexanoylamino]hexanoate is sourced from PubChem (CID 91718604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).