methane;(2-methylidene-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 4-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethylamino]butanoate

C51H67N7O28 — CID 161149047

About methane;(2-methylidene-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 4-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethylamino]butanoate

methane;(2-methylidene-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 4-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethylamino]butanoate (PubChem CID 161149047) has the molecular formula C51H67N7O28 and a molecular weight of 1226.12 g/mol. Its IUPAC name is methane;(2-methylidene-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 4-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethylamino]butanoate.

Molecular Properties

• Compound Name: methane;(2-methylidene-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 4-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethylamino]butanoate
• PubChem CID: 161149047
• Molecular Formula: C51H67N7O28
• Molecular Weight: 1226.12 g/mol
• Exact Mass: 1225.40
• IUPAC Name: methane;(2-methylidene-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 4-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethylamino]butanoate
• SMILES: C.C=C1OC(C)=C(COC(=O)CCCNCCN(CCNC(=O)OCc2oc(=O)oc2C)C(=O)OCc2oc(=O)oc2C)O1.C=C1OC=C(COC(=O)N(CCN)CCN(CCNC(=O)OCc2oc(=O)oc2C)C(=O)OCc2oc(=O)oc2C)O1
• InChI: InChI=1S/C26H33N3O14.C24H30N4O14.CH4/c1-15-19(41-18(4)38-15)12-35-22(30)6-5-7-27-8-10-29(24(32)37-14-21-17(3)40-26(34)43-21)11-9-28-23(31)36-13-20-16(2)39-25(33)42-20;1-14-18(41-23(32)38-14)12-35-20(29)26-5-7-28(22(31)37-13-19-15(2)39-24(33)42-19)9-8-27(6-4-25)21(30)36-11-17-10-34-16(3)40-17;/h27H,4-14H2,1-3H3,(H,28,31);10H,3-9,11-13,25H2,1-2H3,(H,26,29);1H4
• InChIKey: UOKUCIUAPKLAJQ-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 439.95 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 30
• Rotatable Bonds: 30
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1226.12
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of methane;(2-methylidene-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 4-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethylamino]butanoate?

The IUPAC name of methane;(2-methylidene-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 4-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethylamino]butanoate (CID 161149047) is methane;(2-methylidene-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 4-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethylamino]butanoate.

What is the SMILES notation for methane;(2-methylidene-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 4-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethylamino]butanoate?

The canonical SMILES for methane;(2-methylidene-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 4-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethylamino]butanoate is C.C=C1OC(C)=C(COC(=O)CCCNCCN(CCNC(=O)OCc2oc(=O)oc2C)C(=O)OCc2oc(=O)oc2C)O1.C=C1OC=C(COC(=O)N(CCN)CCN(CCNC(=O)OCc2oc(=O)oc2C)C(=O)OCc2oc(=O)oc2C)O1.

What is the InChIKey of methane;(2-methylidene-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 4-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethylamino]butanoate?

The InChIKey is UOKUCIUAPKLAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O14.C24H30N4O14.CH4/c1-15-19(41-18(4)38-15)12-35-22(30)6-5-7-27-8-10-29(24(32)37-14-21-17(3)40-26(34)43-21)11-9-28-23(31)36-13-20-16(2)39-25(33)42-20;1-14-18(41-23(32)38-14)12-35-20(29)26-5-7-28(22(31)37-13-19-15(2)39-24(33)42-19)9-8-27(6-4-25)21(30)36-11-17-10-34-16(3)40-17;/h27H,4-14H2,1-3H3,(H,28,31);10H,3-9,11-13,25H2,1-2H3,(H,26,29);1H4.

What are the key properties of methane;(2-methylidene-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 4-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethylamino]butanoate?

methane;(2-methylidene-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 4-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethylamino]butanoate has a molecular weight of 1226.12 g/mol, XLogP of 3.58, 30 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for methane;(2-methylidene-1,3-dioxol-4-yl)methyl N-(2-aminoethyl)-N-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethyl]carbamate;(5-methyl-2-methylidene-1,3-dioxol-4-yl)methyl 4-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonyl-[2-[(5-methyl-2-oxo-1,3-dioxol-4-yl)methoxycarbonylamino]ethyl]amino]ethylamino]butanoate is sourced from PubChem (CID 161149047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).