methyl N-(5-methyl-2-oxo-1,3-dioxol-4-yl)-N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate

C18H26N4O10 — CID 129097313

IUPACmethyl N-(5-methyl-2-oxo-1,3-dioxol-4-yl)-N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate
SMILESCOC(=O)N(CCNCCNCCNC(=O)OCc1oc(=O)oc1C)c1oc(=O)oc1C
InChIInChI=1S/C18H26N4O10/c1-11-13(31-17(25)29-11)10-28-15(23)21-7-6-19-4-5-20-8-9-22(16(24)27-3)14-12(2)30-18(26)32-14/h19-20H,4-10H2,1-3H3,(H,21,23)
InChIKeyQBFZGLBRYNNXCR-UHFFFAOYSA-N
MW458.42 g/mol
LogP0.07
Rot. Bonds12

About methyl N-(5-methyl-2-oxo-1,3-dioxol-4-yl)-N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate

methyl N-(5-methyl-2-oxo-1,3-dioxol-4-yl)-N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate (PubChem CID 129097313) has the molecular formula C18H26N4O10 and a molecular weight of 458.42 g/mol. Its IUPAC name is methyl N-(5-methyl-2-oxo-1,3-dioxol-4-yl)-N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-(5-methyl-2-oxo-1,3-dioxol-4-yl)-N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate
PubChem CID129097313
Molecular FormulaC18H26N4O10
Molecular Weight458.42 g/mol
Exact Mass458.16
IUPAC Namemethyl N-(5-methyl-2-oxo-1,3-dioxol-4-yl)-N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate
SMILESCOC(=O)N(CCNCCNCCNC(=O)OCc1oc(=O)oc1C)c1oc(=O)oc1C
InChIInChI=1S/C18H26N4O10/c1-11-13(31-17(25)29-11)10-28-15(23)21-7-6-19-4-5-20-8-9-22(16(24)27-3)14-12(2)30-18(26)32-14/h19-20H,4-10H2,1-3H3,(H,21,23)
InChIKeyQBFZGLBRYNNXCR-UHFFFAOYSA-N
XLogP0.07
TPSA178.63 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.42
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze methyl N-(5-methyl-2-oxo-1,3-dioxol-4-yl)-N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl N-(5-methyl-2-oxo-1,3-dioxol-4-yl)-N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate?
The IUPAC name of methyl N-(5-methyl-2-oxo-1,3-dioxol-4-yl)-N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate (CID 129097313) is methyl N-(5-methyl-2-oxo-1,3-dioxol-4-yl)-N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate.
What is the SMILES notation for methyl N-(5-methyl-2-oxo-1,3-dioxol-4-yl)-N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate?
The canonical SMILES for methyl N-(5-methyl-2-oxo-1,3-dioxol-4-yl)-N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate is COC(=O)N(CCNCCNCCNC(=O)OCc1oc(=O)oc1C)c1oc(=O)oc1C.
What is the InChIKey of methyl N-(5-methyl-2-oxo-1,3-dioxol-4-yl)-N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate?
The InChIKey is QBFZGLBRYNNXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O10/c1-11-13(31-17(25)29-11)10-28-15(23)21-7-6-19-4-5-20-8-9-22(16(24)27-3)14-12(2)30-18(26)32-14/h19-20H,4-10H2,1-3H3,(H,21,23).
What are the key properties of methyl N-(5-methyl-2-oxo-1,3-dioxol-4-yl)-N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate?
methyl N-(5-methyl-2-oxo-1,3-dioxol-4-yl)-N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate has a molecular weight of 458.42 g/mol, XLogP of 0.07, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5-methyl-2-oxo-1,3-dioxol-4-yl)-N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate is sourced from PubChem (CID 129097313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).