N-cyclohexylpropanamide;bis(N-methylacetamide);pentakis(yttrium)

C15H29N3O3Y5-2 — CID 158984107

IUPACN-cyclohexylpropanamide;bis(N-methylacetamide);pentakis(yttrium)
SMILESCCC(=O)NC1CCCCC1.[CH2-]C(=O)NC.[CH2-]C(=O)NC.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C9H17NO.2C3H6NO.5Y/c1-2-9(11)10-8-6-4-3-5-7-8;2*1-3(5)4-2;;;;;/h8H,2-7H2,1H3,(H,10,11);2*1H2,2H3,(H,4,5);;;;;/q;2*-1;;;;;
InChIKeyYRIGNCFGVPPWKZ-UHFFFAOYSA-N
MW743.94 g/mol
LogP0.97
Rot. Bonds2

About N-cyclohexylpropanamide;bis(N-methylacetamide);pentakis(yttrium)

N-cyclohexylpropanamide;bis(N-methylacetamide);pentakis(yttrium) (PubChem CID 158984107) has the molecular formula C15H29N3O3Y5-2 and a molecular weight of 743.94 g/mol. Its IUPAC name is N-cyclohexylpropanamide;bis(N-methylacetamide);pentakis(yttrium).

Molecular Properties

Compound NameN-cyclohexylpropanamide;bis(N-methylacetamide);pentakis(yttrium)
PubChem CID158984107
Molecular FormulaC15H29N3O3Y5-2
Molecular Weight743.94 g/mol
Exact Mass743.75
IUPAC NameN-cyclohexylpropanamide;bis(N-methylacetamide);pentakis(yttrium)
SMILESCCC(=O)NC1CCCCC1.[CH2-]C(=O)NC.[CH2-]C(=O)NC.[Y].[Y].[Y].[Y].[Y]
InChIInChI=1S/C9H17NO.2C3H6NO.5Y/c1-2-9(11)10-8-6-4-3-5-7-8;2*1-3(5)4-2;;;;;/h8H,2-7H2,1H3,(H,10,11);2*1H2,2H3,(H,4,5);;;;;/q;2*-1;;;;;
InChIKeyYRIGNCFGVPPWKZ-UHFFFAOYSA-N
XLogP0.97
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500743.94
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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potassium;N-cyclohexylpropanamide;hydride
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N-cycloheptyl-N'-cyclopentylpropanediamide
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N-cyclooctylbutanamide
CID 4614062
N-[4-[(4R)-4-[(5S)-5-phosphanylcyclononyl]cyclooctyl]cyclodecyl]propanamide
CID 174347593
N-[2-(cyclohexylamino)-2-oxoethyl]-2-(methylamino)acetamide;hydrochloride
CID 119759466
N-cyclohexyl-2-ethoxyacetamide
CID 4141421
N-cycloheptyl-2-(propan-2-ylcarbamoylamino)acetamide
CID 112994995

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylpropanamide;bis(N-methylacetamide);pentakis(yttrium)?
The IUPAC name of N-cyclohexylpropanamide;bis(N-methylacetamide);pentakis(yttrium) (CID 158984107) is N-cyclohexylpropanamide;bis(N-methylacetamide);pentakis(yttrium).
What is the SMILES notation for N-cyclohexylpropanamide;bis(N-methylacetamide);pentakis(yttrium)?
The canonical SMILES for N-cyclohexylpropanamide;bis(N-methylacetamide);pentakis(yttrium) is CCC(=O)NC1CCCCC1.[CH2-]C(=O)NC.[CH2-]C(=O)NC.[Y].[Y].[Y].[Y].[Y].
What is the InChIKey of N-cyclohexylpropanamide;bis(N-methylacetamide);pentakis(yttrium)?
The InChIKey is YRIGNCFGVPPWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.2C3H6NO.5Y/c1-2-9(11)10-8-6-4-3-5-7-8;2*1-3(5)4-2;;;;;/h8H,2-7H2,1H3,(H,10,11);2*1H2,2H3,(H,4,5);;;;;/q;2*-1;;;;;.
What are the key properties of N-cyclohexylpropanamide;bis(N-methylacetamide);pentakis(yttrium)?
N-cyclohexylpropanamide;bis(N-methylacetamide);pentakis(yttrium) has a molecular weight of 743.94 g/mol, XLogP of 0.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylpropanamide;bis(N-methylacetamide);pentakis(yttrium) is sourced from PubChem (CID 158984107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).