1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione

C33H60N4O4P2 — CID 159144471

IUPAC1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione
SMILESNCCCCCCCCCCCN1C(=O)CC(C=C(CC2CC(=O)N(CCCCCCCCCCCN)C2=O)PP)C1=O
InChIInChI=1S/C33H60N4O4P2/c34-19-15-11-7-3-1-5-9-13-17-21-36-30(38)25-27(32(36)40)23-29(43-42)24-28-26-31(39)37(33(28)41)22-18-14-10-6-2-4-8-12-16-20-35/h23,27-28,43H,1-22,24-26,34-35,42H2
InChIKeySNINWPYNBTZIDM-UHFFFAOYSA-N
MW638.82 g/mol
LogP6.42
Rot. Bonds26

About 1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione

1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione (PubChem CID 159144471) has the molecular formula C33H60N4O4P2 and a molecular weight of 638.82 g/mol. Its IUPAC name is 1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione
PubChem CID159144471
Molecular FormulaC33H60N4O4P2
Molecular Weight638.82 g/mol
Exact Mass638.41
IUPAC Name1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione
SMILESNCCCCCCCCCCCN1C(=O)CC(C=C(CC2CC(=O)N(CCCCCCCCCCCN)C2=O)PP)C1=O
InChIInChI=1S/C33H60N4O4P2/c34-19-15-11-7-3-1-5-9-13-17-21-36-30(38)25-27(32(36)40)23-29(43-42)24-28-26-31(39)37(33(28)41)22-18-14-10-6-2-4-8-12-16-20-35/h23,27-28,43H,1-22,24-26,34-35,42H2
InChIKeySNINWPYNBTZIDM-UHFFFAOYSA-N
XLogP6.42
TPSA126.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds26
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500638.82
LogP ≤ 56.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione;3-[3-(2,5-dioxooxolan-3-yl)-2-(diphosphanyl)prop-2-enyl]oxolane-2,5-dione;dodecan-1-amine;furan-2,5-dione;phosphanyl(prop-1-en-2-yl)phosphane
CID 160928900
1-(5-aminopentyl)-3-hydroxypyrrolidine-2,5-dione
CID 170590172
1-(4-aminobutyl)-3-methylpyrrolidine-2,5-dione
CID 61236993
tert-butyl 2-[1-(2-aminoethyl)-2,5-dioxopyrrolidin-3-yl]acetate
CID 167630404
3-ethyl-1-nonylpyrrolidine-2,5-dione
CID 512846
1-[5-[4-[2-[2,5-dioxo-3-[(E)-2,4,4-trimethylpent-2-enyl]pyrrolidin-1-yl]ethyl]piperazin-1-yl]pentyl]-3-[(E)-2,4,4-trimethylpent-2-enyl]pyrrolidine-2,5-dione
CID 161103918
3-(2-aminoethylsulfanyl)-1-nonylpyrrolidine-2,5-dione
CID 512847
6-[3-[2-(5-aminopentylamino)-2-oxoethyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]hexanoyl fluoride
CID 154975677
ethane;6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanehydrazide
CID 153342824
3-[(E)-hexadec-2-enyl]-1-octadecylpyrrolidine-2,5-dione
CID 6365999
10-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)decanoic acid
CID 18790434
5-(3-methyl-2,5-dioxopyrrolidin-1-yl)pentanehydrazide
CID 63578183

Frequently Asked Questions

What is the IUPAC name of 1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione (CID 159144471) is 1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione is NCCCCCCCCCCCN1C(=O)CC(C=C(CC2CC(=O)N(CCCCCCCCCCCN)C2=O)PP)C1=O.
What is the InChIKey of 1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione?
The InChIKey is SNINWPYNBTZIDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H60N4O4P2/c34-19-15-11-7-3-1-5-9-13-17-21-36-30(38)25-27(32(36)40)23-29(43-42)24-28-26-31(39)37(33(28)41)22-18-14-10-6-2-4-8-12-16-20-35/h23,27-28,43H,1-22,24-26,34-35,42H2.
What are the key properties of 1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione?
1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione has a molecular weight of 638.82 g/mol, XLogP of 6.42, 26 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(11-aminoundecyl)-3-[3-[1-(11-aminoundecyl)-2,5-dioxopyrrolidin-3-yl]-2-(diphosphanyl)prop-2-enyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 159144471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).