carbanide;1-(3-methylbenzene-4-id-1-yl)tridecyl N-(3-methoxypropyl)-N-methylcarbamate;uranium(2+)

C27H47NO3U — CID 153057952

IUPACcarbanide;1-(3-methylbenzene-4-id-1-yl)tridecyl N-(3-methoxypropyl)-N-methylcarbamate;uranium(2+)
SMILESCCCCCCCCCCCCC(OC(=O)N(C)CCCOC)c1cc[c-]c(C)c1.[CH3-].[U+2]
InChIInChI=1S/C26H44NO3.CH3.U/c1-5-6-7-8-9-10-11-12-13-14-19-25(24-18-15-17-23(2)22-24)30-26(28)27(3)20-16-21-29-4;;/h15,18,22,25H,5-14,16,19-21H2,1-4H3;1H3;/q2*-1;+2
InChIKeyIVXMGLUQVFAZMH-UHFFFAOYSA-N
MW671.71 g/mol
LogP7.70
Rot. Bonds17

About carbanide;1-(3-methylbenzene-4-id-1-yl)tridecyl N-(3-methoxypropyl)-N-methylcarbamate;uranium(2+)

carbanide;1-(3-methylbenzene-4-id-1-yl)tridecyl N-(3-methoxypropyl)-N-methylcarbamate;uranium(2+) (PubChem CID 153057952) has the molecular formula C27H47NO3U and a molecular weight of 671.71 g/mol. Its IUPAC name is carbanide;1-(3-methylbenzene-4-id-1-yl)tridecyl N-(3-methoxypropyl)-N-methylcarbamate;uranium(2+).

Molecular Properties

Compound Namecarbanide;1-(3-methylbenzene-4-id-1-yl)tridecyl N-(3-methoxypropyl)-N-methylcarbamate;uranium(2+)
PubChem CID153057952
Molecular FormulaC27H47NO3U
Molecular Weight671.71 g/mol
Exact Mass671.41
IUPAC Namecarbanide;1-(3-methylbenzene-4-id-1-yl)tridecyl N-(3-methoxypropyl)-N-methylcarbamate;uranium(2+)
SMILESCCCCCCCCCCCCC(OC(=O)N(C)CCCOC)c1cc[c-]c(C)c1.[CH3-].[U+2]
InChIInChI=1S/C26H44NO3.CH3.U/c1-5-6-7-8-9-10-11-12-13-14-19-25(24-18-15-17-23(2)22-24)30-26(28)27(3)20-16-21-29-4;;/h15,18,22,25H,5-14,16,19-21H2,1-4H3;1H3;/q2*-1;+2
InChIKeyIVXMGLUQVFAZMH-UHFFFAOYSA-N
XLogP7.70
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.71
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;1-(3-methylbenzene-4-id-1-yl)tridecyl N-(3-methoxypropyl)-N-methylcarbamate;uranium(2+)?
The IUPAC name of carbanide;1-(3-methylbenzene-4-id-1-yl)tridecyl N-(3-methoxypropyl)-N-methylcarbamate;uranium(2+) (CID 153057952) is carbanide;1-(3-methylbenzene-4-id-1-yl)tridecyl N-(3-methoxypropyl)-N-methylcarbamate;uranium(2+).
What is the SMILES notation for carbanide;1-(3-methylbenzene-4-id-1-yl)tridecyl N-(3-methoxypropyl)-N-methylcarbamate;uranium(2+)?
The canonical SMILES for carbanide;1-(3-methylbenzene-4-id-1-yl)tridecyl N-(3-methoxypropyl)-N-methylcarbamate;uranium(2+) is CCCCCCCCCCCCC(OC(=O)N(C)CCCOC)c1cc[c-]c(C)c1.[CH3-].[U+2].
What is the InChIKey of carbanide;1-(3-methylbenzene-4-id-1-yl)tridecyl N-(3-methoxypropyl)-N-methylcarbamate;uranium(2+)?
The InChIKey is IVXMGLUQVFAZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44NO3.CH3.U/c1-5-6-7-8-9-10-11-12-13-14-19-25(24-18-15-17-23(2)22-24)30-26(28)27(3)20-16-21-29-4;;/h15,18,22,25H,5-14,16,19-21H2,1-4H3;1H3;/q2*-1;+2.
What are the key properties of carbanide;1-(3-methylbenzene-4-id-1-yl)tridecyl N-(3-methoxypropyl)-N-methylcarbamate;uranium(2+)?
carbanide;1-(3-methylbenzene-4-id-1-yl)tridecyl N-(3-methoxypropyl)-N-methylcarbamate;uranium(2+) has a molecular weight of 671.71 g/mol, XLogP of 7.70, 17 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-(3-methylbenzene-4-id-1-yl)tridecyl N-(3-methoxypropyl)-N-methylcarbamate;uranium(2+) is sourced from PubChem (CID 153057952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).