3-(2-methoxyethoxy)propyl N-[1-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-[3-(2-methoxyethoxy)propoxycarbonylamino]-1-oxohexan-2-yl]carbamate;pyrrol-1-ide-2,5-dione;tungsten(2+)

C30H45N5O13W — CID 21026672

IUPAC3-(2-methoxyethoxy)propyl N-[1-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-[3-(2-methoxyethoxy)propoxycarbonylamino]-1-oxohexan-2-yl]carbamate;pyrrol-1-ide-2,5-dione;tungsten(2+)
SMILESCOCCOCCCOC(=O)NCCCCC(NC(=O)OCCCOCCOC)C(=O)N[CH-]CN1C(=O)C=CC1=O.O=C1C=CC(=O)[N-]1.[W+2]
InChIInChI=1S/C26H43N4O11.C4H3NO2.W/c1-36-17-19-38-13-5-15-40-25(34)28-10-4-3-7-21(29-26(35)41-16-6-14-39-20-18-37-2)24(33)27-11-12-30-22(31)8-9-23(30)32;6-3-1-2-4(7)5-3;/h8-9,11,21H,3-7,10,12-20H2,1-2H3,(H,27,33)(H,28,34)(H,29,35);1-2H,(H,5,6,7);/q-1;;+2/p-1
InChIKeyLJMGWSNJPCMXCM-UHFFFAOYSA-M
MW867.55 g/mol
LogP0.27
Rot. Bonds24

About 3-(2-methoxyethoxy)propyl N-[1-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-[3-(2-methoxyethoxy)propoxycarbonylamino]-1-oxohexan-2-yl]carbamate;pyrrol-1-ide-2,5-dione;tungsten(2+)

3-(2-methoxyethoxy)propyl N-[1-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-[3-(2-methoxyethoxy)propoxycarbonylamino]-1-oxohexan-2-yl]carbamate;pyrrol-1-ide-2,5-dione;tungsten(2+) (PubChem CID 21026672) has the molecular formula C30H45N5O13W and a molecular weight of 867.55 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)propyl N-[1-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-[3-(2-methoxyethoxy)propoxycarbonylamino]-1-oxohexan-2-yl]carbamate;pyrrol-1-ide-2,5-dione;tungsten(2+).

Molecular Properties

Compound Name3-(2-methoxyethoxy)propyl N-[1-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-[3-(2-methoxyethoxy)propoxycarbonylamino]-1-oxohexan-2-yl]carbamate;pyrrol-1-ide-2,5-dione;tungsten(2+)
PubChem CID21026672
Molecular FormulaC30H45N5O13W
Molecular Weight867.55 g/mol
Exact Mass867.25
IUPAC Name3-(2-methoxyethoxy)propyl N-[1-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-[3-(2-methoxyethoxy)propoxycarbonylamino]-1-oxohexan-2-yl]carbamate;pyrrol-1-ide-2,5-dione;tungsten(2+)
SMILESCOCCOCCCOC(=O)NCCCCC(NC(=O)OCCCOCCOC)C(=O)N[CH-]CN1C(=O)C=CC1=O.O=C1C=CC(=O)[N-]1.[W+2]
InChIInChI=1S/C26H43N4O11.C4H3NO2.W/c1-36-17-19-38-13-5-15-40-25(34)28-10-4-3-7-21(29-26(35)41-16-6-14-39-20-18-37-2)24(33)27-11-12-30-22(31)8-9-23(30)32;6-3-1-2-4(7)5-3;/h8-9,11,21H,3-7,10,12-20H2,1-2H3,(H,27,33)(H,28,34)(H,29,35);1-2H,(H,5,6,7);/q-1;;+2/p-1
InChIKeyLJMGWSNJPCMXCM-UHFFFAOYSA-M
XLogP0.27
TPSA228.30 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds24
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.55
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

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Related Compounds

Poly(oxy-1,2-ethanediyl), I+/-,I+/-a(2)-[[(1S)-1-[[[2-[[7-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxoheptyl]amino]ethyl]amino]carbonyl]-1,5-pentanediyl]bis(iminocarbonyl)]bis[I-methoxy-
CID 165366129
2-(2-methoxyethoxy)ethyl N-[1-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-6-[2-(2-methoxyethoxy)ethoxycarbonylamino]-1-oxohexan-2-yl]carbamate
CID 18339258
methyl N-[1-[[1,5-bis[3-(2,5-dioxopyrrol-1-yl)propylamino]-1,5-dioxopentan-3-yl]amino]-6-(methoxycarbonylamino)-1-oxohexan-2-yl]carbamate
CID 23578059
methyl N-[1-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-6-(methoxycarbonylamino)-1-oxohexan-2-yl]carbamate
CID 57757392
methoxymethyl N-[6-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-5-(2-hydroxyethoxycarbonylamino)-6-oxohexyl]carbamate
CID 58480607
methyl N-[1-[5-(2,5-dioxopyrrol-1-yl)pentan-2-ylamino]-6-(methoxycarbonylamino)-1-oxohexan-2-yl]carbamate
CID 58771415
methyl N-[1-[1,7-bis(2,5-dioxopyrrol-1-yl)heptan-4-ylamino]-6-(methoxycarbonylamino)-1-oxohexan-2-yl]carbamate
CID 58771417
methyl N-[1-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-2-(methoxycarbonylamino)-1-oxohexan-3-yl]carbamate
CID 58771418
ethyl N-[1-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-6-(ethoxycarbonylamino)-1-oxohexan-2-yl]carbamate
CID 58841250
ethyl N-[1-[[1,5-bis[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-1,5-dioxopentan-3-yl]amino]-6-(ethoxycarbonylamino)-1-oxohexan-2-yl]carbamate
CID 58841294
ethyl N-[1-[1-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-6-(ethoxycarbonylamino)-1-oxohexan-2-yl]carbamate
CID 59156940
ethyl N-[1-[[1,4-bis[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethylamino]-1,4-dioxobutan-2-yl]amino]-6-(ethoxycarbonylamino)-1-oxohexan-2-yl]carbamate
CID 59335550

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)propyl N-[1-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-[3-(2-methoxyethoxy)propoxycarbonylamino]-1-oxohexan-2-yl]carbamate;pyrrol-1-ide-2,5-dione;tungsten(2+)?
The IUPAC name of 3-(2-methoxyethoxy)propyl N-[1-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-[3-(2-methoxyethoxy)propoxycarbonylamino]-1-oxohexan-2-yl]carbamate;pyrrol-1-ide-2,5-dione;tungsten(2+) (CID 21026672) is 3-(2-methoxyethoxy)propyl N-[1-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-[3-(2-methoxyethoxy)propoxycarbonylamino]-1-oxohexan-2-yl]carbamate;pyrrol-1-ide-2,5-dione;tungsten(2+).
What is the SMILES notation for 3-(2-methoxyethoxy)propyl N-[1-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-[3-(2-methoxyethoxy)propoxycarbonylamino]-1-oxohexan-2-yl]carbamate;pyrrol-1-ide-2,5-dione;tungsten(2+)?
The canonical SMILES for 3-(2-methoxyethoxy)propyl N-[1-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-[3-(2-methoxyethoxy)propoxycarbonylamino]-1-oxohexan-2-yl]carbamate;pyrrol-1-ide-2,5-dione;tungsten(2+) is COCCOCCCOC(=O)NCCCCC(NC(=O)OCCCOCCOC)C(=O)N[CH-]CN1C(=O)C=CC1=O.O=C1C=CC(=O)[N-]1.[W+2].
What is the InChIKey of 3-(2-methoxyethoxy)propyl N-[1-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-[3-(2-methoxyethoxy)propoxycarbonylamino]-1-oxohexan-2-yl]carbamate;pyrrol-1-ide-2,5-dione;tungsten(2+)?
The InChIKey is LJMGWSNJPCMXCM-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H43N4O11.C4H3NO2.W/c1-36-17-19-38-13-5-15-40-25(34)28-10-4-3-7-21(29-26(35)41-16-6-14-39-20-18-37-2)24(33)27-11-12-30-22(31)8-9-23(30)32;6-3-1-2-4(7)5-3;/h8-9,11,21H,3-7,10,12-20H2,1-2H3,(H,27,33)(H,28,34)(H,29,35);1-2H,(H,5,6,7);/q-1;;+2/p-1.
What are the key properties of 3-(2-methoxyethoxy)propyl N-[1-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-[3-(2-methoxyethoxy)propoxycarbonylamino]-1-oxohexan-2-yl]carbamate;pyrrol-1-ide-2,5-dione;tungsten(2+)?
3-(2-methoxyethoxy)propyl N-[1-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-[3-(2-methoxyethoxy)propoxycarbonylamino]-1-oxohexan-2-yl]carbamate;pyrrol-1-ide-2,5-dione;tungsten(2+) has a molecular weight of 867.55 g/mol, XLogP of 0.27, 24 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)propyl N-[1-[2-(2,5-dioxopyrrol-1-yl)ethylamino]-6-[3-(2-methoxyethoxy)propoxycarbonylamino]-1-oxohexan-2-yl]carbamate;pyrrol-1-ide-2,5-dione;tungsten(2+) is sourced from PubChem (CID 21026672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).