N,2,2-trimethyloctadecanamide

C21H43NO — CID 158817445

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

About N,2,2-trimethyloctadecanamide

N,2,2-trimethyloctadecanamide (PubChem CID 158817445) has the molecular formula C21H43NO and a molecular weight of 325.58 g/mol. Its IUPAC name is N,2,2-trimethyloctadecanamide.

Molecular Properties

Compound NameN,2,2-trimethyloctadecanamide
PubChem CID158817445
Molecular FormulaC21H43NO
Molecular Weight325.58 g/mol
Exact Mass325.33
IUPAC NameN,2,2-trimethyloctadecanamide
SMILESCCCCCCCCCCCCCCCCC(C)(C)C(=O)NC
InChIInChI=1S/C21H43NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2,3)20(23)22-4/h5-19H2,1-4H3,(H,22,23)
InChIKeyABRYPSPAQYPTHF-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

N,2,2-trimethylhexanamide
CID 87705334
N-hydroxy-2,2-dimethylheptadecanamide
CID 138558717
2,2-dimethyl-N-oxidodecanamide
CID 141061443
N-ethyl-2,2-dimethylheptanamide
CID 168939290
2,2-diethyl-N-methylhexadecanamide
CID 158971138
bis(2,2-dimethyloctanoate);tin(2+) dihydride
CID 173040991
N,2,2,12,12-pentamethyl-7,13-dioxopentadecanamide
CID 159659971
2,2-dimethyldecanamide
CID 22596903
2,2-dimethyldocosanoic acid
CID 23471202
2,2-dimethylhexadecanamide
CID 23297438
N-cyano-N',2,2,12,12-pentamethyltridecanediamide;formonitrile
CID 143079876
2,2-dimethyloctanethioate
CID 18983936

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyloctadecanamide?
The IUPAC name of N,2,2-trimethyloctadecanamide (CID 158817445) is N,2,2-trimethyloctadecanamide.
What is the SMILES notation for N,2,2-trimethyloctadecanamide?
The canonical SMILES for N,2,2-trimethyloctadecanamide is CCCCCCCCCCCCCCCCC(C)(C)C(=O)NC.
What is the InChIKey of N,2,2-trimethyloctadecanamide?
The InChIKey is ABRYPSPAQYPTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(2,3)20(23)22-4/h5-19H2,1-4H3,(H,22,23).
What are the key properties of N,2,2-trimethyloctadecanamide?
N,2,2-trimethyloctadecanamide 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 N,2,2-trimethyloctadecanamide is sourced from PubChem (CID 158817445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).