ethane;6-(pentan-3-ylideneamino)oxy-N-pentylhexanamide

C22H50N2O2 — CID 145076852

IUPACethane;6-(pentan-3-ylideneamino)oxy-N-pentylhexanamide
SMILESCC.CC.CC.CCCCCNC(=O)CCCCCON=C(CC)CC
InChIInChI=1S/C16H32N2O2.3C2H6/c1-4-7-10-13-17-16(19)12-9-8-11-14-20-18-15(5-2)6-3;3*1-2/h4-14H2,1-3H3,(H,17,19);3*1-2H3
InChIKeyGVGBJTIRSNUWOE-UHFFFAOYSA-N
MW374.65 g/mol
LogP7.12
Rot. Bonds13

About ethane;6-(pentan-3-ylideneamino)oxy-N-pentylhexanamide

ethane;6-(pentan-3-ylideneamino)oxy-N-pentylhexanamide (PubChem CID 145076852) has the molecular formula C22H50N2O2 and a molecular weight of 374.65 g/mol. Its IUPAC name is ethane;6-(pentan-3-ylideneamino)oxy-N-pentylhexanamide.

Molecular Properties

Compound Nameethane;6-(pentan-3-ylideneamino)oxy-N-pentylhexanamide
PubChem CID145076852
Molecular FormulaC22H50N2O2
Molecular Weight374.65 g/mol
Exact Mass374.39
IUPAC Nameethane;6-(pentan-3-ylideneamino)oxy-N-pentylhexanamide
SMILESCC.CC.CC.CCCCCNC(=O)CCCCCON=C(CC)CC
InChIInChI=1S/C16H32N2O2.3C2H6/c1-4-7-10-13-17-16(19)12-9-8-11-14-20-18-15(5-2)6-3;3*1-2/h4-14H2,1-3H3,(H,17,19);3*1-2H3
InChIKeyGVGBJTIRSNUWOE-UHFFFAOYSA-N
XLogP7.12
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.65
LogP ≤ 57.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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

ethane;3-(pentan-3-ylideneamino)oxy-N-pentylpropanamide
CID 145076515
ethane;N-heptylhexadecanamide
CID 142440540
ethane;N-octylhexanamide
CID 177149935
ethane;N-pentyl-6-(propanoylamino)hexanamide
CID 166555695
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-tetradecyloctanamide
CID 151737522
N-[6-(tricosanoylamino)hexyl]tricosanamide
CID 102117558
N-[7-(dodecanoylamino)heptyl]dodecanamide
CID 4580774

Frequently Asked Questions

What is the IUPAC name of ethane;6-(pentan-3-ylideneamino)oxy-N-pentylhexanamide?
The IUPAC name of ethane;6-(pentan-3-ylideneamino)oxy-N-pentylhexanamide (CID 145076852) is ethane;6-(pentan-3-ylideneamino)oxy-N-pentylhexanamide.
What is the SMILES notation for ethane;6-(pentan-3-ylideneamino)oxy-N-pentylhexanamide?
The canonical SMILES for ethane;6-(pentan-3-ylideneamino)oxy-N-pentylhexanamide is CC.CC.CC.CCCCCNC(=O)CCCCCON=C(CC)CC.
What is the InChIKey of ethane;6-(pentan-3-ylideneamino)oxy-N-pentylhexanamide?
The InChIKey is GVGBJTIRSNUWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2.3C2H6/c1-4-7-10-13-17-16(19)12-9-8-11-14-20-18-15(5-2)6-3;3*1-2/h4-14H2,1-3H3,(H,17,19);3*1-2H3.
What are the key properties of ethane;6-(pentan-3-ylideneamino)oxy-N-pentylhexanamide?
ethane;6-(pentan-3-ylideneamino)oxy-N-pentylhexanamide has a molecular weight of 374.65 g/mol, XLogP of 7.12, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-(pentan-3-ylideneamino)oxy-N-pentylhexanamide is sourced from PubChem (CID 145076852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).