4-oxo-N-(2-tetradecylhexadecyl)butanamide

C34H67NO2 — CID 135292881

IUPAC4-oxo-N-(2-tetradecylhexadecyl)butanamide
SMILESCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)CCC=O
InChIInChI=1S/C34H67NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-33(32-35-34(37)30-27-31-36)29-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,33H,3-30,32H2,1-2H3,(H,35,37)
InChIKeyVVHBKVYPEPQCEK-UHFFFAOYSA-N
MW521.92 g/mol
LogP10.88
Rot. Bonds31

About 4-oxo-N-(2-tetradecylhexadecyl)butanamide

4-oxo-N-(2-tetradecylhexadecyl)butanamide (PubChem CID 135292881) has the molecular formula C34H67NO2 and a molecular weight of 521.92 g/mol. Its IUPAC name is 4-oxo-N-(2-tetradecylhexadecyl)butanamide.

Molecular Properties

Compound Name4-oxo-N-(2-tetradecylhexadecyl)butanamide
PubChem CID135292881
Molecular FormulaC34H67NO2
Molecular Weight521.92 g/mol
Exact Mass521.52
IUPAC Name4-oxo-N-(2-tetradecylhexadecyl)butanamide
SMILESCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)CCC=O
InChIInChI=1S/C34H67NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-33(32-35-34(37)30-27-31-36)29-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,33H,3-30,32H2,1-2H3,(H,35,37)
InChIKeyVVHBKVYPEPQCEK-UHFFFAOYSA-N
XLogP10.88
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds31
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.92
LogP ≤ 510.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(diaminomethylideneamino)-N-(2-octyldecyl)pentanamide
CID 139836172
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CID 139380852
3-(2-tetradecyloctadecylamino)propanal
CID 54068246
3-(dimethylamino)-N-[(11Z,14Z)-2-[(Z)-heptadec-9-enyl]icosa-11,14-dienyl]propanamide
CID 130459049
N-(3-oxopropyl)octanamide
CID 163482929
N-(2-hexyldecyl)formamide
CID 54204817
N-[2-[2-(hexadecanoylamino)ethyl-[2-(4-oxobutanoylamino)ethyl]amino]ethyl]hexadecanamide
CID 58422822
12-hydroxy-N-(2-hydroxyhexyl)octadecanamide
CID 22735081
N-[3-(hexadecanoylamino)-2-methylpropyl]hexadecanamide
CID 130353709
14-oxo-N-pentadecyltetradecanamide
CID 90756507
7-hydroxy-N-[2-(7-hydroxyoctadecanoylamino)ethyl]octadecanamide
CID 57266771
N-(2-decyltetradecyl)-3-[3-[2-[2-hydroxyethyl(methyl)amino]ethylamino]propylamino]propanamide
CID 175589087

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(2-tetradecylhexadecyl)butanamide?
The IUPAC name of 4-oxo-N-(2-tetradecylhexadecyl)butanamide (CID 135292881) is 4-oxo-N-(2-tetradecylhexadecyl)butanamide.
What is the SMILES notation for 4-oxo-N-(2-tetradecylhexadecyl)butanamide?
The canonical SMILES for 4-oxo-N-(2-tetradecylhexadecyl)butanamide is CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)CNC(=O)CCC=O.
What is the InChIKey of 4-oxo-N-(2-tetradecylhexadecyl)butanamide?
The InChIKey is VVHBKVYPEPQCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H67NO2/c1-3-5-7-9-11-13-15-17-19-21-23-25-28-33(32-35-34(37)30-27-31-36)29-26-24-22-20-18-16-14-12-10-8-6-4-2/h31,33H,3-30,32H2,1-2H3,(H,35,37).
What are the key properties of 4-oxo-N-(2-tetradecylhexadecyl)butanamide?
4-oxo-N-(2-tetradecylhexadecyl)butanamide has a molecular weight of 521.92 g/mol, XLogP of 10.88, 31 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(2-tetradecylhexadecyl)butanamide is sourced from PubChem (CID 135292881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).