ethane;N-(2-ethylbutyl)formamide;2-(4-methoxy-4-methylpentan-2-yl)oxy-2,3,3,4,4-pentamethylpentane

C28H63NO3 — CID 176986726

IUPACethane;N-(2-ethylbutyl)formamide;2-(4-methoxy-4-methylpentan-2-yl)oxy-2,3,3,4,4-pentamethylpentane
SMILESCC.CC.CCC(CC)CNC=O.COC(C)(C)CC(C)OC(C)(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2.C7H15NO.2C2H6/c1-13(12-15(5,6)18-11)19-17(9,10)16(7,8)14(2,3)4;1-3-7(4-2)5-8-6-9;2*1-2/h13H,12H2,1-11H3;6-7H,3-5H2,1-2H3,(H,8,9);2*1-2H3
InChIKeyWXMIJSDUCPSLPV-UHFFFAOYSA-N
MW461.82 g/mol
LogP8.28
Rot. Bonds11

About ethane;N-(2-ethylbutyl)formamide;2-(4-methoxy-4-methylpentan-2-yl)oxy-2,3,3,4,4-pentamethylpentane

ethane;N-(2-ethylbutyl)formamide;2-(4-methoxy-4-methylpentan-2-yl)oxy-2,3,3,4,4-pentamethylpentane (PubChem CID 176986726) has the molecular formula C28H63NO3 and a molecular weight of 461.82 g/mol. Its IUPAC name is ethane;N-(2-ethylbutyl)formamide;2-(4-methoxy-4-methylpentan-2-yl)oxy-2,3,3,4,4-pentamethylpentane.

Molecular Properties

Compound Nameethane;N-(2-ethylbutyl)formamide;2-(4-methoxy-4-methylpentan-2-yl)oxy-2,3,3,4,4-pentamethylpentane
PubChem CID176986726
Molecular FormulaC28H63NO3
Molecular Weight461.82 g/mol
Exact Mass461.48
IUPAC Nameethane;N-(2-ethylbutyl)formamide;2-(4-methoxy-4-methylpentan-2-yl)oxy-2,3,3,4,4-pentamethylpentane
SMILESCC.CC.CCC(CC)CNC=O.COC(C)(C)CC(C)OC(C)(C)C(C)(C)C(C)(C)C
InChIInChI=1S/C17H36O2.C7H15NO.2C2H6/c1-13(12-15(5,6)18-11)19-17(9,10)16(7,8)14(2,3)4;1-3-7(4-2)5-8-6-9;2*1-2/h13H,12H2,1-11H3;6-7H,3-5H2,1-2H3,(H,8,9);2*1-2H3
InChIKeyWXMIJSDUCPSLPV-UHFFFAOYSA-N
XLogP8.28
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.82
LogP ≤ 58.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxy-4-methylpentan-2-yl)oxy-2,3,3,4,4-pentamethylpentane;N-[3-methyl-2-(propan-2-ylamino)butyl]formamide
CID 170704995
N-[2-(formamidomethyl)butyl]formamide
CID 59861734
2-ethyl-N-(2-methoxy-2-methylpropyl)butan-1-amine
CID 115757001
N-[2-(hydroxymethyl)butyl]formamide
CID 130241467
2,2-dimethylpropane;ethane;N-ethylformamide
CID 142479182
ethane;N-(3-hydroxy-3-methylbutyl)formamide;N-methylpropan-2-amine
CID 176960936
ethane;2-ethyl-N-methylbutan-1-amine
CID 143337044
(2R)-2-[[(2S)-4-methoxy-4-methylpentan-2-yl]amino]butan-1-ol
CID 29014802
N-(4-methoxy-2-methylbutyl)formamide
CID 91122116
N-(2-hexyldecyl)formamide
CID 54204817
5-(bromomethyl)-2-methoxy-2-methylheptane
CID 103018464
N-(2-hydroxy-3,3-dimethylbutyl)formamide
CID 130752227

Frequently Asked Questions

What is the IUPAC name of ethane;N-(2-ethylbutyl)formamide;2-(4-methoxy-4-methylpentan-2-yl)oxy-2,3,3,4,4-pentamethylpentane?
The IUPAC name of ethane;N-(2-ethylbutyl)formamide;2-(4-methoxy-4-methylpentan-2-yl)oxy-2,3,3,4,4-pentamethylpentane (CID 176986726) is ethane;N-(2-ethylbutyl)formamide;2-(4-methoxy-4-methylpentan-2-yl)oxy-2,3,3,4,4-pentamethylpentane.
What is the SMILES notation for ethane;N-(2-ethylbutyl)formamide;2-(4-methoxy-4-methylpentan-2-yl)oxy-2,3,3,4,4-pentamethylpentane?
The canonical SMILES for ethane;N-(2-ethylbutyl)formamide;2-(4-methoxy-4-methylpentan-2-yl)oxy-2,3,3,4,4-pentamethylpentane is CC.CC.CCC(CC)CNC=O.COC(C)(C)CC(C)OC(C)(C)C(C)(C)C(C)(C)C.
What is the InChIKey of ethane;N-(2-ethylbutyl)formamide;2-(4-methoxy-4-methylpentan-2-yl)oxy-2,3,3,4,4-pentamethylpentane?
The InChIKey is WXMIJSDUCPSLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36O2.C7H15NO.2C2H6/c1-13(12-15(5,6)18-11)19-17(9,10)16(7,8)14(2,3)4;1-3-7(4-2)5-8-6-9;2*1-2/h13H,12H2,1-11H3;6-7H,3-5H2,1-2H3,(H,8,9);2*1-2H3.
What are the key properties of ethane;N-(2-ethylbutyl)formamide;2-(4-methoxy-4-methylpentan-2-yl)oxy-2,3,3,4,4-pentamethylpentane?
ethane;N-(2-ethylbutyl)formamide;2-(4-methoxy-4-methylpentan-2-yl)oxy-2,3,3,4,4-pentamethylpentane has a molecular weight of 461.82 g/mol, XLogP of 8.28, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(2-ethylbutyl)formamide;2-(4-methoxy-4-methylpentan-2-yl)oxy-2,3,3,4,4-pentamethylpentane is sourced from PubChem (CID 176986726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).