cyclohexanecarbonyl(cyclohexyl)azanide;N,N-dicyclohexylcyclohexanecarboxamide;praseodymium

C32H55N2O2Pr- — CID 158867338

IUPACcyclohexanecarbonyl(cyclohexyl)azanide;N,N-dicyclohexylcyclohexanecarboxamide;praseodymium
SMILESO=C(C1CCCCC1)N(C1CCCCC1)C1CCCCC1.O=C([N-]C1CCCCC1)C1CCCCC1.[Pr]
InChIInChI=1S/C19H33NO.C13H23NO.Pr/c21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12;/h16-18H,1-15H2;11-12H,1-10H2,(H,14,15);/p-1
InChIKeyONMBZVBCUYOICD-UHFFFAOYSA-M
MW640.71 g/mol
LogP8.86
Rot. Bonds5

About cyclohexanecarbonyl(cyclohexyl)azanide;N,N-dicyclohexylcyclohexanecarboxamide;praseodymium

cyclohexanecarbonyl(cyclohexyl)azanide;N,N-dicyclohexylcyclohexanecarboxamide;praseodymium (PubChem CID 158867338) has the molecular formula C32H55N2O2Pr- and a molecular weight of 640.71 g/mol. Its IUPAC name is cyclohexanecarbonyl(cyclohexyl)azanide;N,N-dicyclohexylcyclohexanecarboxamide;praseodymium.

Molecular Properties

Compound Namecyclohexanecarbonyl(cyclohexyl)azanide;N,N-dicyclohexylcyclohexanecarboxamide;praseodymium
PubChem CID158867338
Molecular FormulaC32H55N2O2Pr-
Molecular Weight640.71 g/mol
Exact Mass640.33
IUPAC Namecyclohexanecarbonyl(cyclohexyl)azanide;N,N-dicyclohexylcyclohexanecarboxamide;praseodymium
SMILESO=C(C1CCCCC1)N(C1CCCCC1)C1CCCCC1.O=C([N-]C1CCCCC1)C1CCCCC1.[Pr]
InChIInChI=1S/C19H33NO.C13H23NO.Pr/c21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12;/h16-18H,1-15H2;11-12H,1-10H2,(H,14,15);/p-1
InChIKeyONMBZVBCUYOICD-UHFFFAOYSA-M
XLogP8.86
TPSA51.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.71
LogP ≤ 58.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dicyclohexylcyclobutanecarboxamide
CID 841777
N-cyclopropyl-N-(1-methylpiperidin-4-yl)cyclopentanecarboxamide
CID 110872957
N-cyclohexyl-N-ethylcyclobutanecarboxamide
CID 78833458
1-(2-bromoacetyl)-N,N-dicyclohexylpiperidine-4-carboxamide
CID 141242145
N,N-dicyclohexylcyclopenta-2,4-diene-1-carboxamide
CID 101089270
N-cyclopentyl-N-cyclopropyl-1-methylsulfonylpiperidine-4-carboxamide
CID 110872931
CID 87476940
CID 87476940
N-(2-chloroethyl)-N-cyclopentylcyclohexanecarboxamide
CID 55187406
N-(2-chloroethyl)-N-cyclobutylcyclohexanecarboxamide
CID 102872561
N-cyclopentyl-N-(2-hydroxyethyl)cyclohexanecarboxamide
CID 54994642
2-(dicyclohexylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60790595
1,1,3,3-tetracyclohexylthiourea
CID 12935848

Frequently Asked Questions

What is the IUPAC name of cyclohexanecarbonyl(cyclohexyl)azanide;N,N-dicyclohexylcyclohexanecarboxamide;praseodymium?
The IUPAC name of cyclohexanecarbonyl(cyclohexyl)azanide;N,N-dicyclohexylcyclohexanecarboxamide;praseodymium (CID 158867338) is cyclohexanecarbonyl(cyclohexyl)azanide;N,N-dicyclohexylcyclohexanecarboxamide;praseodymium.
What is the SMILES notation for cyclohexanecarbonyl(cyclohexyl)azanide;N,N-dicyclohexylcyclohexanecarboxamide;praseodymium?
The canonical SMILES for cyclohexanecarbonyl(cyclohexyl)azanide;N,N-dicyclohexylcyclohexanecarboxamide;praseodymium is O=C(C1CCCCC1)N(C1CCCCC1)C1CCCCC1.O=C([N-]C1CCCCC1)C1CCCCC1.[Pr].
What is the InChIKey of cyclohexanecarbonyl(cyclohexyl)azanide;N,N-dicyclohexylcyclohexanecarboxamide;praseodymium?
The InChIKey is ONMBZVBCUYOICD-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H33NO.C13H23NO.Pr/c21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)18-14-8-3-9-15-18;15-13(11-7-3-1-4-8-11)14-12-9-5-2-6-10-12;/h16-18H,1-15H2;11-12H,1-10H2,(H,14,15);/p-1.
What are the key properties of cyclohexanecarbonyl(cyclohexyl)azanide;N,N-dicyclohexylcyclohexanecarboxamide;praseodymium?
cyclohexanecarbonyl(cyclohexyl)azanide;N,N-dicyclohexylcyclohexanecarboxamide;praseodymium has a molecular weight of 640.71 g/mol, XLogP of 8.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanecarbonyl(cyclohexyl)azanide;N,N-dicyclohexylcyclohexanecarboxamide;praseodymium is sourced from PubChem (CID 158867338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).