carbanide;N-[3,3-diethyl-5-(propanoylamino)cyclohexyl]propanamide;titanium(2+)

C18H36N2O2Ti — CID 23292836

IUPACcarbanide;N-[3,3-diethyl-5-(propanoylamino)cyclohexyl]propanamide;titanium(2+)
SMILESCCC(=O)NC1CC(NC(=O)CC)CC(CC)(CC)C1.[CH3-].[CH3-].[Ti+2]
InChIInChI=1S/C16H30N2O2.2CH3.Ti/c1-5-14(19)17-12-9-13(18-15(20)6-2)11-16(7-3,8-4)10-12;;;/h12-13H,5-11H2,1-4H3,(H,17,19)(H,18,20);2*1H3;/q;2*-1;+2
InChIKeyRPZMCRHSKIROJV-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.66
Rot. Bonds6

About carbanide;N-[3,3-diethyl-5-(propanoylamino)cyclohexyl]propanamide;titanium(2+)

carbanide;N-[3,3-diethyl-5-(propanoylamino)cyclohexyl]propanamide;titanium(2+) (PubChem CID 23292836) has the molecular formula C18H36N2O2Ti and a molecular weight of 360.37 g/mol. Its IUPAC name is carbanide;N-[3,3-diethyl-5-(propanoylamino)cyclohexyl]propanamide;titanium(2+).

Molecular Properties

Compound Namecarbanide;N-[3,3-diethyl-5-(propanoylamino)cyclohexyl]propanamide;titanium(2+)
PubChem CID23292836
Molecular FormulaC18H36N2O2Ti
Molecular Weight360.37 g/mol
Exact Mass360.23
IUPAC Namecarbanide;N-[3,3-diethyl-5-(propanoylamino)cyclohexyl]propanamide;titanium(2+)
SMILESCCC(=O)NC1CC(NC(=O)CC)CC(CC)(CC)C1.[CH3-].[CH3-].[Ti+2]
InChIInChI=1S/C16H30N2O2.2CH3.Ti/c1-5-14(19)17-12-9-13(18-15(20)6-2)11-16(7-3,8-4)10-12;;;/h12-13H,5-11H2,1-4H3,(H,17,19)(H,18,20);2*1H3;/q;2*-1;+2
InChIKeyRPZMCRHSKIROJV-UHFFFAOYSA-N
XLogP3.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of carbanide;N-[3,3-diethyl-5-(propanoylamino)cyclohexyl]propanamide;titanium(2+)?
The IUPAC name of carbanide;N-[3,3-diethyl-5-(propanoylamino)cyclohexyl]propanamide;titanium(2+) (CID 23292836) is carbanide;N-[3,3-diethyl-5-(propanoylamino)cyclohexyl]propanamide;titanium(2+).
What is the SMILES notation for carbanide;N-[3,3-diethyl-5-(propanoylamino)cyclohexyl]propanamide;titanium(2+)?
The canonical SMILES for carbanide;N-[3,3-diethyl-5-(propanoylamino)cyclohexyl]propanamide;titanium(2+) is CCC(=O)NC1CC(NC(=O)CC)CC(CC)(CC)C1.[CH3-].[CH3-].[Ti+2].
What is the InChIKey of carbanide;N-[3,3-diethyl-5-(propanoylamino)cyclohexyl]propanamide;titanium(2+)?
The InChIKey is RPZMCRHSKIROJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2.2CH3.Ti/c1-5-14(19)17-12-9-13(18-15(20)6-2)11-16(7-3,8-4)10-12;;;/h12-13H,5-11H2,1-4H3,(H,17,19)(H,18,20);2*1H3;/q;2*-1;+2.
What are the key properties of carbanide;N-[3,3-diethyl-5-(propanoylamino)cyclohexyl]propanamide;titanium(2+)?
carbanide;N-[3,3-diethyl-5-(propanoylamino)cyclohexyl]propanamide;titanium(2+) has a molecular weight of 360.37 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;N-[3,3-diethyl-5-(propanoylamino)cyclohexyl]propanamide;titanium(2+) is sourced from PubChem (CID 23292836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).