(7Z)-7-(3-aminooxypropoxyimino)-N-butyloctanamide;N-butyl-7-oxooctanamide;methane;7-oxooctanoic acid;silane;hydrochloride

C36H81ClN4O8Si2 — CID 172952397

IUPAC(7Z)-7-(3-aminooxypropoxyimino)-N-butyloctanamide;N-butyl-7-oxooctanamide;methane;7-oxooctanoic acid;silane;hydrochloride
SMILESC.CC(=O)CCCCCC(=O)O.CCCCNC(=O)CCCCC/C(C)=N\OCCCON.CCCCNC(=O)CCCCCC(C)=O.Cl.[SiH4].[SiH4]
InChIInChI=1S/C15H31N3O3.C12H23NO2.C8H14O3.CH4.ClH.2H4Si/c1-3-4-11-17-15(19)10-7-5-6-9-14(2)18-21-13-8-12-20-16;1-3-4-10-13-12(15)9-7-5-6-8-11(2)14;1-7(9)5-3-2-4-6-8(10)11;;;;/h3-13,16H2,1-2H3,(H,17,19);3-10H2,1-2H3,(H,13,15);2-6H2,1H3,(H,10,11);1H4;1H;2*1H4/b18-14-;;;;;;
InChIKeyDFUKAZVXIBROBY-XDKKZAAVSA-N
MW789.69 g/mol
LogP4.73
Rot. Bonds29

About (7Z)-7-(3-aminooxypropoxyimino)-N-butyloctanamide;N-butyl-7-oxooctanamide;methane;7-oxooctanoic acid;silane;hydrochloride

(7Z)-7-(3-aminooxypropoxyimino)-N-butyloctanamide;N-butyl-7-oxooctanamide;methane;7-oxooctanoic acid;silane;hydrochloride (PubChem CID 172952397) has the molecular formula C36H81ClN4O8Si2 and a molecular weight of 789.69 g/mol. Its IUPAC name is (7Z)-7-(3-aminooxypropoxyimino)-N-butyloctanamide;N-butyl-7-oxooctanamide;methane;7-oxooctanoic acid;silane;hydrochloride.

Molecular Properties

Compound Name(7Z)-7-(3-aminooxypropoxyimino)-N-butyloctanamide;N-butyl-7-oxooctanamide;methane;7-oxooctanoic acid;silane;hydrochloride
PubChem CID172952397
Molecular FormulaC36H81ClN4O8Si2
Molecular Weight789.69 g/mol
Exact Mass788.53
IUPAC Name(7Z)-7-(3-aminooxypropoxyimino)-N-butyloctanamide;N-butyl-7-oxooctanamide;methane;7-oxooctanoic acid;silane;hydrochloride
SMILESC.CC(=O)CCCCCC(=O)O.CCCCNC(=O)CCCCC/C(C)=N\OCCCON.CCCCNC(=O)CCCCCC(C)=O.Cl.[SiH4].[SiH4]
InChIInChI=1S/C15H31N3O3.C12H23NO2.C8H14O3.CH4.ClH.2H4Si/c1-3-4-11-17-15(19)10-7-5-6-9-14(2)18-21-13-8-12-20-16;1-3-4-10-13-12(15)9-7-5-6-8-11(2)14;1-7(9)5-3-2-4-6-8(10)11;;;;/h3-13,16H2,1-2H3,(H,17,19);3-10H2,1-2H3,(H,13,15);2-6H2,1H3,(H,10,11);1H4;1H;2*1H4/b18-14-;;;;;;
InChIKeyDFUKAZVXIBROBY-XDKKZAAVSA-N
XLogP4.73
TPSA186.48 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds29
Heavy Atoms51
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500789.69
LogP ≤ 54.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-aminooxypropyl)hexadecanamide
CID 88573336
N-butyl-12-oxotridecanamide
CID 158110868
N-butyl-7-oxooctanamide
CID 153419892
6-(butylamino)-6-oxohexanoic acid
CID 43529485
6-(hexylamino)-6-oxohexanoic acid
CID 22448385
N-(10-oxoundecyl)dodecanamide
CID 171771299
3-[[13-(butylamino)-13-oxotridecanoyl]amino]propanoic acid
CID 170549124
4-(tridecanoylamino)butanoic acid
CID 164851630
11-(dodecanoylamino)undecanoic acid
CID 4163254
8,13-dioxo-13-(6-oxoheptylamino)tridecanoic acid
CID 159429348
N,N'-bis(6-oxoheptyl)hexanediamide;butane;ethane
CID 145408136
12-oxo-N-propyltridecanamide
CID 135223938

Frequently Asked Questions

What is the IUPAC name of (7Z)-7-(3-aminooxypropoxyimino)-N-butyloctanamide;N-butyl-7-oxooctanamide;methane;7-oxooctanoic acid;silane;hydrochloride?
The IUPAC name of (7Z)-7-(3-aminooxypropoxyimino)-N-butyloctanamide;N-butyl-7-oxooctanamide;methane;7-oxooctanoic acid;silane;hydrochloride (CID 172952397) is (7Z)-7-(3-aminooxypropoxyimino)-N-butyloctanamide;N-butyl-7-oxooctanamide;methane;7-oxooctanoic acid;silane;hydrochloride.
What is the SMILES notation for (7Z)-7-(3-aminooxypropoxyimino)-N-butyloctanamide;N-butyl-7-oxooctanamide;methane;7-oxooctanoic acid;silane;hydrochloride?
The canonical SMILES for (7Z)-7-(3-aminooxypropoxyimino)-N-butyloctanamide;N-butyl-7-oxooctanamide;methane;7-oxooctanoic acid;silane;hydrochloride is C.CC(=O)CCCCCC(=O)O.CCCCNC(=O)CCCCC/C(C)=N\OCCCON.CCCCNC(=O)CCCCCC(C)=O.Cl.[SiH4].[SiH4].
What is the InChIKey of (7Z)-7-(3-aminooxypropoxyimino)-N-butyloctanamide;N-butyl-7-oxooctanamide;methane;7-oxooctanoic acid;silane;hydrochloride?
The InChIKey is DFUKAZVXIBROBY-XDKKZAAVSA-N. The full InChI is InChI=1S/C15H31N3O3.C12H23NO2.C8H14O3.CH4.ClH.2H4Si/c1-3-4-11-17-15(19)10-7-5-6-9-14(2)18-21-13-8-12-20-16;1-3-4-10-13-12(15)9-7-5-6-8-11(2)14;1-7(9)5-3-2-4-6-8(10)11;;;;/h3-13,16H2,1-2H3,(H,17,19);3-10H2,1-2H3,(H,13,15);2-6H2,1H3,(H,10,11);1H4;1H;2*1H4/b18-14-;;;;;;.
What are the key properties of (7Z)-7-(3-aminooxypropoxyimino)-N-butyloctanamide;N-butyl-7-oxooctanamide;methane;7-oxooctanoic acid;silane;hydrochloride?
(7Z)-7-(3-aminooxypropoxyimino)-N-butyloctanamide;N-butyl-7-oxooctanamide;methane;7-oxooctanoic acid;silane;hydrochloride has a molecular weight of 789.69 g/mol, XLogP of 4.73, 29 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-7-(3-aminooxypropoxyimino)-N-butyloctanamide;N-butyl-7-oxooctanamide;methane;7-oxooctanoic acid;silane;hydrochloride is sourced from PubChem (CID 172952397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).