4-cyano-N-[3-[2-[(4-cyano-4-methylpentanoyl)amino]propan-2-yl-dimethylsilyl]propyl]-4-methylpentanamide

C22H40N4O2Si — CID 23594085

IUPAC4-cyano-N-[3-[2-[(4-cyano-4-methylpentanoyl)amino]propan-2-yl-dimethylsilyl]propyl]-4-methylpentanamide
SMILESCC(C)(C#N)CCC(=O)NCCC[Si](C)(C)C(C)(C)NC(=O)CCC(C)(C)C#N
InChIInChI=1S/C22H40N4O2Si/c1-20(2,16-23)12-10-18(27)25-14-9-15-29(7,8)22(5,6)26-19(28)11-13-21(3,4)17-24/h9-15H2,1-8H3,(H,25,27)(H,26,28)
InChIKeyDCVMXVANBPYXFC-UHFFFAOYSA-N
MW420.67 g/mol
LogP4.30
Rot. Bonds12

About 4-cyano-N-[3-[2-[(4-cyano-4-methylpentanoyl)amino]propan-2-yl-dimethylsilyl]propyl]-4-methylpentanamide

4-cyano-N-[3-[2-[(4-cyano-4-methylpentanoyl)amino]propan-2-yl-dimethylsilyl]propyl]-4-methylpentanamide (PubChem CID 23594085) has the molecular formula C22H40N4O2Si and a molecular weight of 420.67 g/mol. Its IUPAC name is 4-cyano-N-[3-[2-[(4-cyano-4-methylpentanoyl)amino]propan-2-yl-dimethylsilyl]propyl]-4-methylpentanamide.

Molecular Properties

Compound Name4-cyano-N-[3-[2-[(4-cyano-4-methylpentanoyl)amino]propan-2-yl-dimethylsilyl]propyl]-4-methylpentanamide
PubChem CID23594085
Molecular FormulaC22H40N4O2Si
Molecular Weight420.67 g/mol
Exact Mass420.29
IUPAC Name4-cyano-N-[3-[2-[(4-cyano-4-methylpentanoyl)amino]propan-2-yl-dimethylsilyl]propyl]-4-methylpentanamide
SMILESCC(C)(C#N)CCC(=O)NCCC[Si](C)(C)C(C)(C)NC(=O)CCC(C)(C)C#N
InChIInChI=1S/C22H40N4O2Si/c1-20(2,16-23)12-10-18(27)25-14-9-15-29(7,8)22(5,6)26-19(28)11-13-21(3,4)17-24/h9-15H2,1-8H3,(H,25,27)(H,26,28)
InChIKeyDCVMXVANBPYXFC-UHFFFAOYSA-N
XLogP4.30
TPSA105.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.67
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
4-cyano-4-[(2-cyano-5-oxohexan-2-yl)diazenyl]-N-[3-[[dimethyl-[3-(methylamino)propyl]silyl]oxy-dimethylsilyl]propyl]pentanamide;methane
CID 157385511
N-[3-(tert-butylamino)-3-oxopropyl]-4,4-dimethylpentanamide
CID 176837103
3-cyano-N-(3,3-dimethylbutyl)propanamide
CID 115173922
N-tert-butyl-2-[(3-cyano-3-methylbutyl)amino]acetamide
CID 115356567
N-(5,5-dimethylhexyl)-6,6-dimethylheptanamide
CID 155613162
N-(5,5-dimethylhexyl)-7-iodo-7-methyloctanamide
CID 155298915
5-bromo-N-(2-cyano-2-methylpropyl)pentanamide
CID 107910644
3-[2-[(4-cyano-4,5-dimethylhexanoyl)amino]ethyldisulfanyl]propanoyl fluoride
CID 171520126
4,4,4-trifluoro-N-(3-iodopropyl)butanamide
CID 114504286
2,2,6,6-tetramethyl-5-oxooctanenitrile
CID 137482752
2-[(4-cyano-4-methylpentyl)amino]acetamide
CID 65256262

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[3-[2-[(4-cyano-4-methylpentanoyl)amino]propan-2-yl-dimethylsilyl]propyl]-4-methylpentanamide?
The IUPAC name of 4-cyano-N-[3-[2-[(4-cyano-4-methylpentanoyl)amino]propan-2-yl-dimethylsilyl]propyl]-4-methylpentanamide (CID 23594085) is 4-cyano-N-[3-[2-[(4-cyano-4-methylpentanoyl)amino]propan-2-yl-dimethylsilyl]propyl]-4-methylpentanamide.
What is the SMILES notation for 4-cyano-N-[3-[2-[(4-cyano-4-methylpentanoyl)amino]propan-2-yl-dimethylsilyl]propyl]-4-methylpentanamide?
The canonical SMILES for 4-cyano-N-[3-[2-[(4-cyano-4-methylpentanoyl)amino]propan-2-yl-dimethylsilyl]propyl]-4-methylpentanamide is CC(C)(C#N)CCC(=O)NCCC[Si](C)(C)C(C)(C)NC(=O)CCC(C)(C)C#N.
What is the InChIKey of 4-cyano-N-[3-[2-[(4-cyano-4-methylpentanoyl)amino]propan-2-yl-dimethylsilyl]propyl]-4-methylpentanamide?
The InChIKey is DCVMXVANBPYXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H40N4O2Si/c1-20(2,16-23)12-10-18(27)25-14-9-15-29(7,8)22(5,6)26-19(28)11-13-21(3,4)17-24/h9-15H2,1-8H3,(H,25,27)(H,26,28).
What are the key properties of 4-cyano-N-[3-[2-[(4-cyano-4-methylpentanoyl)amino]propan-2-yl-dimethylsilyl]propyl]-4-methylpentanamide?
4-cyano-N-[3-[2-[(4-cyano-4-methylpentanoyl)amino]propan-2-yl-dimethylsilyl]propyl]-4-methylpentanamide has a molecular weight of 420.67 g/mol, XLogP of 4.30, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[3-[2-[(4-cyano-4-methylpentanoyl)amino]propan-2-yl-dimethylsilyl]propyl]-4-methylpentanamide is sourced from PubChem (CID 23594085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).