3-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-5,5-diphenylimidazolidine-2,4-dione

C28H40N3O4P — CID 67922072

IUPAC3-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCOP(OCCCCCCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)N(C(C)C)C(C)C
InChIInChI=1S/C28H40N3O4P/c1-22(2)31(23(3)4)36(34-5)35-21-15-7-6-14-20-30-26(32)28(29-27(30)33,24-16-10-8-11-17-24)25-18-12-9-13-19-25/h8-13,16-19,22-23H,6-7,14-15,20-21H2,1-5H3,(H,29,33)
InChIKeyIOJMLFWCZXQIMH-UHFFFAOYSA-N
MW513.62 g/mol
LogP6.05
Rot. Bonds14

About 3-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-5,5-diphenylimidazolidine-2,4-dione

3-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-5,5-diphenylimidazolidine-2,4-dione (PubChem CID 67922072) has the molecular formula C28H40N3O4P and a molecular weight of 513.62 g/mol. Its IUPAC name is 3-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-5,5-diphenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-5,5-diphenylimidazolidine-2,4-dione
PubChem CID67922072
Molecular FormulaC28H40N3O4P
Molecular Weight513.62 g/mol
Exact Mass513.28
IUPAC Name3-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-5,5-diphenylimidazolidine-2,4-dione
SMILESCOP(OCCCCCCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)N(C(C)C)C(C)C
InChIInChI=1S/C28H40N3O4P/c1-22(2)31(23(3)4)36(34-5)35-21-15-7-6-14-20-30-26(32)28(29-27(30)33,24-16-10-8-11-17-24)25-18-12-9-13-19-25/h8-13,16-19,22-23H,6-7,14-15,20-21H2,1-5H3,(H,29,33)
InChIKeyIOJMLFWCZXQIMH-UHFFFAOYSA-N
XLogP6.05
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.62
LogP ≤ 56.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-5,5-diphenylimidazolidine-2,4-dione with MolForge

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Related Compounds

3-decyl-5,5-diphenylimidazolidine-2,4-dione
CID 11696827
3-hexyl-5,5-diphenylimidazolidine-2,4-dione
CID 24860362
5,5-diphenyl-3-(3-sulfanylpropyl)imidazolidine-2,4-dione
CID 102066490
5,5-diphenyl-3-(4-phenylsulfanylbutyl)imidazolidine-2,4-dione
CID 2221675
3-[4-(2-methoxy-4-prop-1-enylphenoxy)butyl]-5,5-diphenylimidazolidine-2,4-dione
CID 2965830
5,5-diphenyl-3-[2-(propan-2-ylamino)ethyl]imidazolidine-2,4-dione
CID 129132203
2-amino-5-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)pentanoic acid
CID 3084726
ethyl 2-[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)ethoxy]acetate
CID 75425557
3-[3-(2-nitrophenoxy)propyl]-5,5-diphenylimidazolidine-2,4-dione
CID 2221340
(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methoxy-oxophosphanium
CID 173376528
S-[(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl] 2-aminoethanethioate
CID 54266354
(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)methyl-bis(2-methylpropyl)azanium
CID 9109602

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-5,5-diphenylimidazolidine-2,4-dione?
The IUPAC name of 3-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-5,5-diphenylimidazolidine-2,4-dione (CID 67922072) is 3-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-5,5-diphenylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-5,5-diphenylimidazolidine-2,4-dione?
The canonical SMILES for 3-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-5,5-diphenylimidazolidine-2,4-dione is COP(OCCCCCCN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)N(C(C)C)C(C)C.
What is the InChIKey of 3-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-5,5-diphenylimidazolidine-2,4-dione?
The InChIKey is IOJMLFWCZXQIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N3O4P/c1-22(2)31(23(3)4)36(34-5)35-21-15-7-6-14-20-30-26(32)28(29-27(30)33,24-16-10-8-11-17-24)25-18-12-9-13-19-25/h8-13,16-19,22-23H,6-7,14-15,20-21H2,1-5H3,(H,29,33).
What are the key properties of 3-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-5,5-diphenylimidazolidine-2,4-dione?
3-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-5,5-diphenylimidazolidine-2,4-dione has a molecular weight of 513.62 g/mol, XLogP of 6.05, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[[di(propan-2-yl)amino]-methoxyphosphanyl]oxyhexyl]-5,5-diphenylimidazolidine-2,4-dione is sourced from PubChem (CID 67922072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).