ethane;hexadecanamide;N-(1-hydroxypropan-2-yl)-5-oxohexanamide

C29H62N2O4 — CID 170630599

IUPACethane;hexadecanamide;N-(1-hydroxypropan-2-yl)-5-oxohexanamide
SMILESCC.CC.CC(=O)CCCC(=O)NC(C)CO.CCCCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C16H33NO.C9H17NO3.2C2H6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-7(6-11)10-9(13)5-3-4-8(2)12;2*1-2/h2-15H2,1H3,(H2,17,18);7,11H,3-6H2,1-2H3,(H,10,13);2*1-2H3
InChIKeyIOGVWSGCJVTZQE-UHFFFAOYSA-N
MW502.83 g/mol
LogP7.25
Rot. Bonds20

About ethane;hexadecanamide;N-(1-hydroxypropan-2-yl)-5-oxohexanamide

ethane;hexadecanamide;N-(1-hydroxypropan-2-yl)-5-oxohexanamide (PubChem CID 170630599) has the molecular formula C29H62N2O4 and a molecular weight of 502.83 g/mol. Its IUPAC name is ethane;hexadecanamide;N-(1-hydroxypropan-2-yl)-5-oxohexanamide.

Molecular Properties

Compound Nameethane;hexadecanamide;N-(1-hydroxypropan-2-yl)-5-oxohexanamide
PubChem CID170630599
Molecular FormulaC29H62N2O4
Molecular Weight502.83 g/mol
Exact Mass502.47
IUPAC Nameethane;hexadecanamide;N-(1-hydroxypropan-2-yl)-5-oxohexanamide
SMILESCC.CC.CC(=O)CCCC(=O)NC(C)CO.CCCCCCCCCCCCCCCC(N)=O
InChIInChI=1S/C16H33NO.C9H17NO3.2C2H6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-7(6-11)10-9(13)5-3-4-8(2)12;2*1-2/h2-15H2,1H3,(H2,17,18);7,11H,3-6H2,1-2H3,(H,10,13);2*1-2H3
InChIKeyIOGVWSGCJVTZQE-UHFFFAOYSA-N
XLogP7.25
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.83
LogP ≤ 57.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-hydroxypropan-2-yl)heptanamide
CID 43418581
(E)-N-[(2S)-1-hydroxypropan-2-yl]octadec-9-enamide
CID 66509136
(Z)-N-[(2R)-1-hydroxypropan-2-yl]docos-13-enamide
CID 53318751
N-(1-hydroxypropan-2-yl)tetracos-15-enamide
CID 173265118
N-pentan-2-ylundecanamide
CID 173258559
N-[(2R)-1-aminopropan-2-yl]nonanamide
CID 104873041
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
N-octadecan-2-ylhexadecanamide
CID 87600664
N-heptan-2-yldodecanamide
CID 3484810
(E)-N-[(2R)-1-hydroxypropan-2-yl]-10-oxooctadec-8-enamide
CID 53324035
N-[1-[ethyl-[2-(octanoylamino)propyl]amino]propan-2-yl]octanamide
CID 102116491

Frequently Asked Questions

What is the IUPAC name of ethane;hexadecanamide;N-(1-hydroxypropan-2-yl)-5-oxohexanamide?
The IUPAC name of ethane;hexadecanamide;N-(1-hydroxypropan-2-yl)-5-oxohexanamide (CID 170630599) is ethane;hexadecanamide;N-(1-hydroxypropan-2-yl)-5-oxohexanamide.
What is the SMILES notation for ethane;hexadecanamide;N-(1-hydroxypropan-2-yl)-5-oxohexanamide?
The canonical SMILES for ethane;hexadecanamide;N-(1-hydroxypropan-2-yl)-5-oxohexanamide is CC.CC.CC(=O)CCCC(=O)NC(C)CO.CCCCCCCCCCCCCCCC(N)=O.
What is the InChIKey of ethane;hexadecanamide;N-(1-hydroxypropan-2-yl)-5-oxohexanamide?
The InChIKey is IOGVWSGCJVTZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO.C9H17NO3.2C2H6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;1-7(6-11)10-9(13)5-3-4-8(2)12;2*1-2/h2-15H2,1H3,(H2,17,18);7,11H,3-6H2,1-2H3,(H,10,13);2*1-2H3.
What are the key properties of ethane;hexadecanamide;N-(1-hydroxypropan-2-yl)-5-oxohexanamide?
ethane;hexadecanamide;N-(1-hydroxypropan-2-yl)-5-oxohexanamide has a molecular weight of 502.83 g/mol, XLogP of 7.25, 20 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;hexadecanamide;N-(1-hydroxypropan-2-yl)-5-oxohexanamide is sourced from PubChem (CID 170630599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).