N-[5-[2-[2-[2,2-dimethyl-3-[methyl(propanoyl)amino]propoxy]ethoxy]ethoxy]-2,4-dimethylpentan-2-yl]-3-methylbutanamide

C25H50N2O5 — CID 130332896

IUPACN-[5-[2-[2-[2,2-dimethyl-3-[methyl(propanoyl)amino]propoxy]ethoxy]ethoxy]-2,4-dimethylpentan-2-yl]-3-methylbutanamide
SMILESCCC(=O)N(C)CC(C)(C)COCCOCCOCC(C)CC(C)(C)NC(=O)CC(C)C
InChIInChI=1S/C25H50N2O5/c1-10-23(29)27(9)18-24(5,6)19-32-14-12-30-11-13-31-17-21(4)16-25(7,8)26-22(28)15-20(2)3/h20-21H,10-19H2,1-9H3,(H,26,28)
InChIKeyMOPSIBASZJSCSO-UHFFFAOYSA-N
MW458.68 g/mol
LogP3.90
Rot. Bonds18

About N-[5-[2-[2-[2,2-dimethyl-3-[methyl(propanoyl)amino]propoxy]ethoxy]ethoxy]-2,4-dimethylpentan-2-yl]-3-methylbutanamide

N-[5-[2-[2-[2,2-dimethyl-3-[methyl(propanoyl)amino]propoxy]ethoxy]ethoxy]-2,4-dimethylpentan-2-yl]-3-methylbutanamide (PubChem CID 130332896) has the molecular formula C25H50N2O5 and a molecular weight of 458.68 g/mol. Its IUPAC name is N-[5-[2-[2-[2,2-dimethyl-3-[methyl(propanoyl)amino]propoxy]ethoxy]ethoxy]-2,4-dimethylpentan-2-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[5-[2-[2-[2,2-dimethyl-3-[methyl(propanoyl)amino]propoxy]ethoxy]ethoxy]-2,4-dimethylpentan-2-yl]-3-methylbutanamide
PubChem CID130332896
Molecular FormulaC25H50N2O5
Molecular Weight458.68 g/mol
Exact Mass458.37
IUPAC NameN-[5-[2-[2-[2,2-dimethyl-3-[methyl(propanoyl)amino]propoxy]ethoxy]ethoxy]-2,4-dimethylpentan-2-yl]-3-methylbutanamide
SMILESCCC(=O)N(C)CC(C)(C)COCCOCCOCC(C)CC(C)(C)NC(=O)CC(C)C
InChIInChI=1S/C25H50N2O5/c1-10-23(29)27(9)18-24(5,6)19-32-14-12-30-11-13-31-17-21(4)16-25(7,8)26-22(28)15-20(2)3/h20-21H,10-19H2,1-9H3,(H,26,28)
InChIKeyMOPSIBASZJSCSO-UHFFFAOYSA-N
XLogP3.90
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.68
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 17381763
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethylbutanamide
CID 79652395
3,5,5-trimethyl-N-(2-methylpropyl)-6-[2-[3,3,5-trimethyl-5-(3-methylbut-3-enoylamino)hexoxy]ethoxy]hexanamide
CID 170009845
3-methyl-N-[2-[2-[2-[2-(3-methylbutanoylamino)ethoxy]ethoxy]ethoxy]ethyl]butanamide
CID 166662987
N-(1-hydroxy-2-methylpropan-2-yl)-3,5,5-trimethylhexanamide
CID 43500958
N-[3-[3-(butanoylamino)-2,2-dimethylpropoxy]-2,2-dimethylpropyl]-3-methylbutanamide
CID 129177621
N-(2-isocyanopropan-2-yl)-3-methylbutanamide
CID 88849340
N-(1-hydroxy-2-methylbutan-2-yl)-3-methylbutanamide
CID 64556014
N-[5-[3-[3,3-dimethyl-4-[methyl(propanoyl)amino]sulfanylbutoxy]-3-methylbutoxy]-2,2,3,3-tetramethylhexyl]-N,3-dimethylbutanamide
CID 168959285
N-[2,2-dimethyl-3-(2-methyl-4-oxohexoxy)propyl]formamide
CID 171557578
N-(3-amino-2,2-dimethylpropyl)-N,3,5-trimethylhexanamide;hydrochloride
CID 119655813
N-(2-ethoxyethyl)-3-methylbutanamide
CID 58439580

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-[2-[2,2-dimethyl-3-[methyl(propanoyl)amino]propoxy]ethoxy]ethoxy]-2,4-dimethylpentan-2-yl]-3-methylbutanamide?
The IUPAC name of N-[5-[2-[2-[2,2-dimethyl-3-[methyl(propanoyl)amino]propoxy]ethoxy]ethoxy]-2,4-dimethylpentan-2-yl]-3-methylbutanamide (CID 130332896) is N-[5-[2-[2-[2,2-dimethyl-3-[methyl(propanoyl)amino]propoxy]ethoxy]ethoxy]-2,4-dimethylpentan-2-yl]-3-methylbutanamide.
What is the SMILES notation for N-[5-[2-[2-[2,2-dimethyl-3-[methyl(propanoyl)amino]propoxy]ethoxy]ethoxy]-2,4-dimethylpentan-2-yl]-3-methylbutanamide?
The canonical SMILES for N-[5-[2-[2-[2,2-dimethyl-3-[methyl(propanoyl)amino]propoxy]ethoxy]ethoxy]-2,4-dimethylpentan-2-yl]-3-methylbutanamide is CCC(=O)N(C)CC(C)(C)COCCOCCOCC(C)CC(C)(C)NC(=O)CC(C)C.
What is the InChIKey of N-[5-[2-[2-[2,2-dimethyl-3-[methyl(propanoyl)amino]propoxy]ethoxy]ethoxy]-2,4-dimethylpentan-2-yl]-3-methylbutanamide?
The InChIKey is MOPSIBASZJSCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H50N2O5/c1-10-23(29)27(9)18-24(5,6)19-32-14-12-30-11-13-31-17-21(4)16-25(7,8)26-22(28)15-20(2)3/h20-21H,10-19H2,1-9H3,(H,26,28).
What are the key properties of N-[5-[2-[2-[2,2-dimethyl-3-[methyl(propanoyl)amino]propoxy]ethoxy]ethoxy]-2,4-dimethylpentan-2-yl]-3-methylbutanamide?
N-[5-[2-[2-[2,2-dimethyl-3-[methyl(propanoyl)amino]propoxy]ethoxy]ethoxy]-2,4-dimethylpentan-2-yl]-3-methylbutanamide has a molecular weight of 458.68 g/mol, XLogP of 3.90, 18 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-[2-[2,2-dimethyl-3-[methyl(propanoyl)amino]propoxy]ethoxy]ethoxy]-2,4-dimethylpentan-2-yl]-3-methylbutanamide is sourced from PubChem (CID 130332896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).