2,2-diethyl-N-methylhexadecanamide

C21H43NO — CID 158971138

IUPAC2,2-diethyl-N-methylhexadecanamide
SMILESCCCCCCCCCCCCCCC(CC)(CC)C(=O)NC
InChIInChI=1S/C21H43NO/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-21(6-2,7-3)20(23)22-4/h5-19H2,1-4H3,(H,22,23)
InChIKeyVJZMPDIBCATOTE-UHFFFAOYSA-N
MW325.58 g/mol
LogP6.63
Rot. Bonds16

About 2,2-diethyl-N-methylhexadecanamide

2,2-diethyl-N-methylhexadecanamide (PubChem CID 158971138) has the molecular formula C21H43NO and a molecular weight of 325.58 g/mol. Its IUPAC name is 2,2-diethyl-N-methylhexadecanamide.

Molecular Properties

Compound Name2,2-diethyl-N-methylhexadecanamide
PubChem CID158971138
Molecular FormulaC21H43NO
Molecular Weight325.58 g/mol
Exact Mass325.33
IUPAC Name2,2-diethyl-N-methylhexadecanamide
SMILESCCCCCCCCCCCCCCC(CC)(CC)C(=O)NC
InChIInChI=1S/C21H43NO/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-21(6-2,7-3)20(23)22-4/h5-19H2,1-4H3,(H,22,23)
InChIKeyVJZMPDIBCATOTE-UHFFFAOYSA-N
XLogP6.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.58
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2-diethyl-N-hydroxypentadecanamide
CID 138558527
N,2,2-trimethyloctadecanamide
CID 158817445
2,2-diethyltridecanoic acid
CID 138578067
2,2-diethylnonadecanoic acid
CID 139750929
N-(2-aminoethyl)-2,2-diethyloctanamide;hydrofluoride
CID 175966813
2-butyl-2-ethylnonanoic acid
CID 57042574
2-ethyl-2-pentylheptanamide
CID 87709137
2,9-dihexyl-2,9-dioctyldecanedioic acid
CID 172763339
2-dodecyl-2-octyltetradecanoic acid
CID 24889792
2,2-dihexyldecanoic acid
CID 57072933
2-hydroxyethyl 2,2-diethyloctanoate
CID 164897952
2,2-dioctylundecanethioic S-acid
CID 87743498

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-methylhexadecanamide?
The IUPAC name of 2,2-diethyl-N-methylhexadecanamide (CID 158971138) is 2,2-diethyl-N-methylhexadecanamide.
What is the SMILES notation for 2,2-diethyl-N-methylhexadecanamide?
The canonical SMILES for 2,2-diethyl-N-methylhexadecanamide is CCCCCCCCCCCCCCC(CC)(CC)C(=O)NC.
What is the InChIKey of 2,2-diethyl-N-methylhexadecanamide?
The InChIKey is VJZMPDIBCATOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-21(6-2,7-3)20(23)22-4/h5-19H2,1-4H3,(H,22,23).
What are the key properties of 2,2-diethyl-N-methylhexadecanamide?
2,2-diethyl-N-methylhexadecanamide has a molecular weight of 325.58 g/mol, XLogP of 6.63, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-N-methylhexadecanamide is sourced from PubChem (CID 158971138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).