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

C18H26N4O10 — CID 129097314

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

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate (PubChem CID 129097314) has the molecular formula C18H26N4O10 and a molecular weight of 458.42 g/mol. Its IUPAC name is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate.

Molecular Properties

• Compound Name: (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate
• PubChem CID: 129097314
• Molecular Formula: C18H26N4O10
• Molecular Weight: 458.42 g/mol
• Exact Mass: 458.16
• IUPAC Name: (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate
• SMILES: Cc1oc(=O)oc1COC(=O)NCCNCCNCCNC(=O)OCc1oc(=O)oc1C
• InChI: InChI=1S/C18H26N4O10/c1-11-13(31-17(25)29-11)9-27-15(23)21-7-5-19-3-4-20-6-8-22-16(24)28-10-14-12(2)30-18(26)32-14/h19-20H,3-10H2,1-2H3,(H,21,23)(H,22,24)
• InChIKey: BFOPZAPGNPJOHP-UHFFFAOYSA-N
• XLogP: -0.27
• TPSA: 187.42 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 13
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.42
LogP ≤ 5	-0.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate?

The IUPAC name of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate (CID 129097314) is (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate.

What is the SMILES notation for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate?

The canonical SMILES for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate is Cc1oc(=O)oc1COC(=O)NCCNCCNCCNC(=O)OCc1oc(=O)oc1C.

What is the InChIKey of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate?

The InChIKey is BFOPZAPGNPJOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O10/c1-11-13(31-17(25)29-11)9-27-15(23)21-7-5-19-3-4-20-6-8-22-16(24)28-10-14-12(2)30-18(26)32-14/h19-20H,3-10H2,1-2H3,(H,21,23)(H,22,24).

What are the key properties of (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate?

(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 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 -0.27, 13 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for (5-methyl-2-oxo-1,3-dioxol-4-yl)methyl N-[2-[2-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethylamino]ethylamino]ethyl]carbamate is sourced from PubChem (CID 129097314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).