N-hydroxy-2,2-dimethylheptadecanamide

C19H39NO2 — CID 138558717

IUPACN-hydroxy-2,2-dimethylheptadecanamide
SMILESCCCCCCCCCCCCCCCC(C)(C)C(=O)NO
InChIInChI=1S/C19H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2,3)18(21)20-22/h22H,4-17H2,1-3H3,(H,20,21)
InChIKeyRODNNAKBDNCFLP-UHFFFAOYSA-N
MW313.53 g/mol
LogP6.00
Rot. Bonds15

About N-hydroxy-2,2-dimethylheptadecanamide

N-hydroxy-2,2-dimethylheptadecanamide (PubChem CID 138558717) has the molecular formula C19H39NO2 and a molecular weight of 313.53 g/mol. Its IUPAC name is N-hydroxy-2,2-dimethylheptadecanamide.

Molecular Properties

Compound NameN-hydroxy-2,2-dimethylheptadecanamide
PubChem CID138558717
Molecular FormulaC19H39NO2
Molecular Weight313.53 g/mol
Exact Mass313.30
IUPAC NameN-hydroxy-2,2-dimethylheptadecanamide
SMILESCCCCCCCCCCCCCCCC(C)(C)C(=O)NO
InChIInChI=1S/C19H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2,3)18(21)20-22/h22H,4-17H2,1-3H3,(H,20,21)
InChIKeyRODNNAKBDNCFLP-UHFFFAOYSA-N
XLogP6.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.53
LogP ≤ 56.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hexyl-N-hydroxy-2-methyloctanamide
CID 170033401
N,2,2-trimethyloctadecanamide
CID 158817445
2,2-dimethyl-N-oxidodecanamide
CID 141061443
N-hydroxy-2,2-dimethylpentanamide;hydrochloride
CID 140997012
2-ethyl-N-hydroxy-2-methylpentadecanamide
CID 138558679
N-ethyl-2,2-dimethylheptanamide
CID 168939290
2,2-diethyl-N-hydroxypentadecanamide
CID 138558527
2,2-dimethylhexadecanamide
CID 23297438
2,2-dimethyldocosanoic acid
CID 23471202
2,2-dimethyldecanamide
CID 22596903
2,2-dimethyldodecanoyl chloride
CID 15656432
tris(2,2-dimethyldecanoic acid);neodymium
CID 162514792

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2,2-dimethylheptadecanamide?
The IUPAC name of N-hydroxy-2,2-dimethylheptadecanamide (CID 138558717) is N-hydroxy-2,2-dimethylheptadecanamide.
What is the SMILES notation for N-hydroxy-2,2-dimethylheptadecanamide?
The canonical SMILES for N-hydroxy-2,2-dimethylheptadecanamide is CCCCCCCCCCCCCCCC(C)(C)C(=O)NO.
What is the InChIKey of N-hydroxy-2,2-dimethylheptadecanamide?
The InChIKey is RODNNAKBDNCFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(2,3)18(21)20-22/h22H,4-17H2,1-3H3,(H,20,21).
What are the key properties of N-hydroxy-2,2-dimethylheptadecanamide?
N-hydroxy-2,2-dimethylheptadecanamide has a molecular weight of 313.53 g/mol, XLogP of 6.00, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2,2-dimethylheptadecanamide is sourced from PubChem (CID 138558717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).