N',N'-dicyclohexylpropanediamide;titanium(2+);dichloride

C15H26Cl2N2O2Ti — CID 173136057

IUPACN',N'-dicyclohexylpropanediamide;titanium(2+);dichloride
SMILESNC(=O)CC(=O)N(C1CCCCC1)C1CCCCC1.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C15H26N2O2.2ClH.Ti/c16-14(18)11-15(19)17(12-7-3-1-4-8-12)13-9-5-2-6-10-13;;;/h12-13H,1-11H2,(H2,16,18);2*1H;/q;;;+2/p-2
InChIKeyCXBWGEPZINPKIQ-UHFFFAOYSA-L
MW385.16 g/mol
LogP-3.64
Rot. Bonds4

About N',N'-dicyclohexylpropanediamide;titanium(2+);dichloride

N',N'-dicyclohexylpropanediamide;titanium(2+);dichloride (PubChem CID 173136057) has the molecular formula C15H26Cl2N2O2Ti and a molecular weight of 385.16 g/mol. Its IUPAC name is N',N'-dicyclohexylpropanediamide;titanium(2+);dichloride.

Molecular Properties

Compound NameN',N'-dicyclohexylpropanediamide;titanium(2+);dichloride
PubChem CID173136057
Molecular FormulaC15H26Cl2N2O2Ti
Molecular Weight385.16 g/mol
Exact Mass384.09
IUPAC NameN',N'-dicyclohexylpropanediamide;titanium(2+);dichloride
SMILESNC(=O)CC(=O)N(C1CCCCC1)C1CCCCC1.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C15H26N2O2.2ClH.Ti/c16-14(18)11-15(19)17(12-7-3-1-4-8-12)13-9-5-2-6-10-13;;;/h12-13H,1-11H2,(H2,16,18);2*1H;/q;;;+2/p-2
InChIKeyCXBWGEPZINPKIQ-UHFFFAOYSA-L
XLogP-3.64
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.16
LogP ≤ 5-3.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-amino-N,N-dicyclohexyl-3-hydroxyiminopropanamide
CID 43333100
N',N'-dicyclohexyl-N-hydroxypropanediamide
CID 3049615
N,N-dicyclohexyl-2-iodoacetamide
CID 71405486
N,N-dicyclohexyl-3-(cyclopropylamino)propanamide
CID 60842293
2-(tert-butylamino)-N,N-dicyclohexylacetamide
CID 78907368
4-(dicyclohexylamino)-4-oxobutanoate
CID 40784781
N,N-dicyclohexylcyclobutanecarboxamide
CID 841777
2-[cyclohexyl(methyl)amino]acetamide
CID 22200523
2-[2-(dicyclohexylamino)-2-oxoethyl]sulfanylacetic acid
CID 115569413
2-[3,5-bis[2-(dicyclohexylamino)-2-oxoethoxy]cyclohexyl]oxy-N,N-dicyclohexylacetamide
CID 86183778
1-amino-N,N-dicyclohexylcyclopropane-1-carboxamide
CID 65465472
1-cycloheptyl-1-[4-(methoxymethyl)cyclohexyl]urea
CID 67489638

Frequently Asked Questions

What is the IUPAC name of N',N'-dicyclohexylpropanediamide;titanium(2+);dichloride?
The IUPAC name of N',N'-dicyclohexylpropanediamide;titanium(2+);dichloride (CID 173136057) is N',N'-dicyclohexylpropanediamide;titanium(2+);dichloride.
What is the SMILES notation for N',N'-dicyclohexylpropanediamide;titanium(2+);dichloride?
The canonical SMILES for N',N'-dicyclohexylpropanediamide;titanium(2+);dichloride is NC(=O)CC(=O)N(C1CCCCC1)C1CCCCC1.[Cl-].[Cl-].[Ti+2].
What is the InChIKey of N',N'-dicyclohexylpropanediamide;titanium(2+);dichloride?
The InChIKey is CXBWGEPZINPKIQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H26N2O2.2ClH.Ti/c16-14(18)11-15(19)17(12-7-3-1-4-8-12)13-9-5-2-6-10-13;;;/h12-13H,1-11H2,(H2,16,18);2*1H;/q;;;+2/p-2.
What are the key properties of N',N'-dicyclohexylpropanediamide;titanium(2+);dichloride?
N',N'-dicyclohexylpropanediamide;titanium(2+);dichloride has a molecular weight of 385.16 g/mol, XLogP of -3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dicyclohexylpropanediamide;titanium(2+);dichloride is sourced from PubChem (CID 173136057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).