1,3-bis[[methyl(octadecyl)amino]methyl]-5,5-dioctylimidazolidine-2,4-dione

C59H118N4O2 — CID 54361411

IUPAC1,3-bis[[methyl(octadecyl)amino]methyl]-5,5-dioctylimidazolidine-2,4-dione
SMILESCCCCCCCCCCCCCCCCCCN(C)CN1C(=O)N(CN(C)CCCCCCCCCCCCCCCCCC)C(CCCCCCCC)(CCCCCCCC)C1=O
InChIInChI=1S/C59H118N4O2/c1-7-11-15-19-23-25-27-29-31-33-35-37-39-41-45-49-53-60(5)55-62-57(64)59(51-47-43-21-17-13-9-3,52-48-44-22-18-14-10-4)63(58(62)65)56-61(6)54-50-46-42-40-38-36-34-32-30-28-26-24-20-16-12-8-2/h7-56H2,1-6H3
InChIKeyUMTRNSLOSQUTFV-UHFFFAOYSA-N
MW915.62 g/mol
LogP18.79
Rot. Bonds52

About 1,3-bis[[methyl(octadecyl)amino]methyl]-5,5-dioctylimidazolidine-2,4-dione

1,3-bis[[methyl(octadecyl)amino]methyl]-5,5-dioctylimidazolidine-2,4-dione (PubChem CID 54361411) has the molecular formula C59H118N4O2 and a molecular weight of 915.62 g/mol. Its IUPAC name is 1,3-bis[[methyl(octadecyl)amino]methyl]-5,5-dioctylimidazolidine-2,4-dione.

Molecular Properties

Compound Name1,3-bis[[methyl(octadecyl)amino]methyl]-5,5-dioctylimidazolidine-2,4-dione
PubChem CID54361411
Molecular FormulaC59H118N4O2
Molecular Weight915.62 g/mol
Exact Mass914.93
IUPAC Name1,3-bis[[methyl(octadecyl)amino]methyl]-5,5-dioctylimidazolidine-2,4-dione
SMILESCCCCCCCCCCCCCCCCCCN(C)CN1C(=O)N(CN(C)CCCCCCCCCCCCCCCCCC)C(CCCCCCCC)(CCCCCCCC)C1=O
InChIInChI=1S/C59H118N4O2/c1-7-11-15-19-23-25-27-29-31-33-35-37-39-41-45-49-53-60(5)55-62-57(64)59(51-47-43-21-17-13-9-3,52-48-44-22-18-14-10-4)63(58(62)65)56-61(6)54-50-46-42-40-38-36-34-32-30-28-26-24-20-16-12-8-2/h7-56H2,1-6H3
InChIKeyUMTRNSLOSQUTFV-UHFFFAOYSA-N
XLogP18.79
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds52
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500915.62
LogP ≤ 518.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,3-bis[[methyl(octadecyl)amino]methyl]-5,5-dioctylimidazolidine-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

5-cyclopentyl-5-methyl-1,3-bis[[methyl(nonyl)amino]methyl]imidazolidine-2,4-dione
CID 54072688
4-hydroxy-3,3,5,5-tetra(nonyl)-1-octylpiperazine-2,6-dione
CID 163625566
1,3-dibromo-5,5-diheptylimidazolidine-2,4-dione
CID 54077958
N-methyl-N-tridecyltetradecan-1-amine
CID 87351995
N-methyl-N-octylundecan-1-amine
CID 140654810
N-methyl-N-octadecyloctadecan-1-amine;N-methyl-N-tetradecyltetradecan-1-amine
CID 172776346
N-hexyl-N-methyldodecan-1-amine
CID 139978744
N-dodecyl-N-methyldodecan-1-amine;tetradecane
CID 118268401
N-hexadecyl-N-methylicosan-1-amine
CID 21242596
N,N'-dimethyl-N,N'-dioctyldecane-1,10-diamine
CID 19772875
N-methyl-N-nonylundecan-1-amine
CID 603442
N-methyl-N-pentacosylpentacosan-1-amine
CID 118952569

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[[methyl(octadecyl)amino]methyl]-5,5-dioctylimidazolidine-2,4-dione?
The IUPAC name of 1,3-bis[[methyl(octadecyl)amino]methyl]-5,5-dioctylimidazolidine-2,4-dione (CID 54361411) is 1,3-bis[[methyl(octadecyl)amino]methyl]-5,5-dioctylimidazolidine-2,4-dione.
What is the SMILES notation for 1,3-bis[[methyl(octadecyl)amino]methyl]-5,5-dioctylimidazolidine-2,4-dione?
The canonical SMILES for 1,3-bis[[methyl(octadecyl)amino]methyl]-5,5-dioctylimidazolidine-2,4-dione is CCCCCCCCCCCCCCCCCCN(C)CN1C(=O)N(CN(C)CCCCCCCCCCCCCCCCCC)C(CCCCCCCC)(CCCCCCCC)C1=O.
What is the InChIKey of 1,3-bis[[methyl(octadecyl)amino]methyl]-5,5-dioctylimidazolidine-2,4-dione?
The InChIKey is UMTRNSLOSQUTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H118N4O2/c1-7-11-15-19-23-25-27-29-31-33-35-37-39-41-45-49-53-60(5)55-62-57(64)59(51-47-43-21-17-13-9-3,52-48-44-22-18-14-10-4)63(58(62)65)56-61(6)54-50-46-42-40-38-36-34-32-30-28-26-24-20-16-12-8-2/h7-56H2,1-6H3.
What are the key properties of 1,3-bis[[methyl(octadecyl)amino]methyl]-5,5-dioctylimidazolidine-2,4-dione?
1,3-bis[[methyl(octadecyl)amino]methyl]-5,5-dioctylimidazolidine-2,4-dione has a molecular weight of 915.62 g/mol, XLogP of 18.79, 52 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[[methyl(octadecyl)amino]methyl]-5,5-dioctylimidazolidine-2,4-dione is sourced from PubChem (CID 54361411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).