N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-(triphenyl-λ4-polanyl)butanamide

C30H33NOPo — CID 156737671

IUPACN-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-(triphenyl-λ4-polanyl)butanamide
SMILESCCC(C(=O)NC1=C(C)CCC=C1C)[Po](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H18NO.3C6H5.Po/c1-4-6-11(14)13-12-9(2)7-5-8-10(12)3;3*1-2-4-6-5-3-1;/h6-7H,4-5,8H2,1-3H3,(H,13,14);3*1-5H;
InChIKeyCYKNZEDZJMHVQW-UHFFFAOYSA-N
MW632.60 g/mol
LogP5.07
Rot. Bonds7

About N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-(triphenyl-λ4-polanyl)butanamide

N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-(triphenyl-λ4-polanyl)butanamide (PubChem CID 156737671) has the molecular formula C30H33NOPo and a molecular weight of 632.60 g/mol. Its IUPAC name is N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-(triphenyl-λ4-polanyl)butanamide.

Molecular Properties

Compound NameN-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-(triphenyl-λ4-polanyl)butanamide
PubChem CID156737671
Molecular FormulaC30H33NOPo
Molecular Weight632.60 g/mol
Exact Mass632.24
IUPAC NameN-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-(triphenyl-λ4-polanyl)butanamide
SMILESCCC(C(=O)NC1=C(C)CCC=C1C)[Po](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C12H18NO.3C6H5.Po/c1-4-6-11(14)13-12-9(2)7-5-8-10(12)3;3*1-2-4-6-5-3-1;/h6-7H,4-5,8H2,1-3H3,(H,13,14);3*1-5H;
InChIKeyCYKNZEDZJMHVQW-UHFFFAOYSA-N
XLogP5.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.60
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-(triphenyl-λ4-polanyl)butanamide?
The IUPAC name of N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-(triphenyl-λ4-polanyl)butanamide (CID 156737671) is N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-(triphenyl-λ4-polanyl)butanamide.
What is the SMILES notation for N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-(triphenyl-λ4-polanyl)butanamide?
The canonical SMILES for N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-(triphenyl-λ4-polanyl)butanamide is CCC(C(=O)NC1=C(C)CCC=C1C)[Po](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-(triphenyl-λ4-polanyl)butanamide?
The InChIKey is CYKNZEDZJMHVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18NO.3C6H5.Po/c1-4-6-11(14)13-12-9(2)7-5-8-10(12)3;3*1-2-4-6-5-3-1;/h6-7H,4-5,8H2,1-3H3,(H,13,14);3*1-5H;.
What are the key properties of N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-(triphenyl-λ4-polanyl)butanamide?
N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-(triphenyl-λ4-polanyl)butanamide has a molecular weight of 632.60 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)-2-(triphenyl-λ4-polanyl)butanamide is sourced from PubChem (CID 156737671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).