N-(2-ethylhexyl)-2-hydroxy-2-methyldecanamide

C19H39NO2 — CID 87571090

IUPACN-(2-ethylhexyl)-2-hydroxy-2-methyldecanamide
SMILESCCCCCCCCC(C)(O)C(=O)NCC(CC)CCCC
InChIInChI=1S/C19H39NO2/c1-5-8-10-11-12-13-15-19(4,22)18(21)20-16-17(7-3)14-9-6-2/h17,22H,5-16H2,1-4H3,(H,20,21)
InChIKeyJPESFVPZTCOAKP-UHFFFAOYSA-N
MW313.53 g/mol
LogP4.82
Rot. Bonds14

About N-(2-ethylhexyl)-2-hydroxy-2-methyldecanamide

N-(2-ethylhexyl)-2-hydroxy-2-methyldecanamide (PubChem CID 87571090) has the molecular formula C19H39NO2 and a molecular weight of 313.53 g/mol. Its IUPAC name is N-(2-ethylhexyl)-2-hydroxy-2-methyldecanamide.

Molecular Properties

Compound NameN-(2-ethylhexyl)-2-hydroxy-2-methyldecanamide
PubChem CID87571090
Molecular FormulaC19H39NO2
Molecular Weight313.53 g/mol
Exact Mass313.30
IUPAC NameN-(2-ethylhexyl)-2-hydroxy-2-methyldecanamide
SMILESCCCCCCCCC(C)(O)C(=O)NCC(CC)CCCC
InChIInChI=1S/C19H39NO2/c1-5-8-10-11-12-13-15-19(4,22)18(21)20-16-17(7-3)14-9-6-2/h17,22H,5-16H2,1-4H3,(H,20,21)
InChIKeyJPESFVPZTCOAKP-UHFFFAOYSA-N
XLogP4.82
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.53
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylhexyl)-2-hydroxy-2-methylpropanamide
CID 104936564
3-(2-ethylhexylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 107817453
calcium;N-(2-ethylhexyl)-3-oxobutanamide;hydride
CID 173102099
N-(2-ethylhexyl)acetamide;fluoromethane
CID 145149425
2-hydroxy-2-methylheptadecanoic acid
CID 19591844
(2R)-2-hydroxy-2-methyloctadecanoic acid
CID 172684339
2-ethylhexylcarbamic acid;octan-3-amine
CID 173173211
5-(2-ethylhexylamino)-3,3-dimethyl-5-oxopentanoic acid
CID 55155767
1-(2-ethylhexyl)-3-propan-2-ylurea
CID 78858171
2-bromo-N-(2-ethylhexyl)butanamide
CID 62854370
2-bromo-N-(2-ethylhexyl)propanamide
CID 82109337
calcium;2,4-dihydroxy-2,4-dimethyl-3-oxodocosanoic acid;hydride
CID 174546092

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)-2-hydroxy-2-methyldecanamide?
The IUPAC name of N-(2-ethylhexyl)-2-hydroxy-2-methyldecanamide (CID 87571090) is N-(2-ethylhexyl)-2-hydroxy-2-methyldecanamide.
What is the SMILES notation for N-(2-ethylhexyl)-2-hydroxy-2-methyldecanamide?
The canonical SMILES for N-(2-ethylhexyl)-2-hydroxy-2-methyldecanamide is CCCCCCCCC(C)(O)C(=O)NCC(CC)CCCC.
What is the InChIKey of N-(2-ethylhexyl)-2-hydroxy-2-methyldecanamide?
The InChIKey is JPESFVPZTCOAKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39NO2/c1-5-8-10-11-12-13-15-19(4,22)18(21)20-16-17(7-3)14-9-6-2/h17,22H,5-16H2,1-4H3,(H,20,21).
What are the key properties of N-(2-ethylhexyl)-2-hydroxy-2-methyldecanamide?
N-(2-ethylhexyl)-2-hydroxy-2-methyldecanamide has a molecular weight of 313.53 g/mol, XLogP of 4.82, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)-2-hydroxy-2-methyldecanamide is sourced from PubChem (CID 87571090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).