N-(2-hydroxyethyl)-10,14-dimethyl-6-propylpentadecanamide

C22H45NO2 — CID 123167057

IUPACN-(2-hydroxyethyl)-10,14-dimethyl-6-propylpentadecanamide
SMILESCCCC(CCCCC(=O)NCCO)CCCC(C)CCCC(C)C
InChIInChI=1S/C22H45NO2/c1-5-10-21(14-6-7-16-22(25)23-17-18-24)15-9-13-20(4)12-8-11-19(2)3/h19-21,24H,5-18H2,1-4H3,(H,23,25)
InChIKeyDGFXIUQTHSXLQG-UHFFFAOYSA-N
MW355.61 g/mol
LogP5.70
Rot. Bonds17

About N-(2-hydroxyethyl)-10,14-dimethyl-6-propylpentadecanamide

N-(2-hydroxyethyl)-10,14-dimethyl-6-propylpentadecanamide (PubChem CID 123167057) has the molecular formula C22H45NO2 and a molecular weight of 355.61 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-10,14-dimethyl-6-propylpentadecanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-10,14-dimethyl-6-propylpentadecanamide
PubChem CID123167057
Molecular FormulaC22H45NO2
Molecular Weight355.61 g/mol
Exact Mass355.35
IUPAC NameN-(2-hydroxyethyl)-10,14-dimethyl-6-propylpentadecanamide
SMILESCCCC(CCCCC(=O)NCCO)CCCC(C)CCCC(C)C
InChIInChI=1S/C22H45NO2/c1-5-10-21(14-6-7-16-22(25)23-17-18-24)15-9-13-20(4)12-8-11-19(2)3/h19-21,24H,5-18H2,1-4H3,(H,23,25)
InChIKeyDGFXIUQTHSXLQG-UHFFFAOYSA-N
XLogP5.70
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.61
LogP ≤ 55.70
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-butyl-7-methyloctanamide
CID 154028337
4,7-bis[3-oxo-3-(tetradecylamino)propyl]-N,N'-di(tetradecyl)decanediamide;N,N'-di(tetradecyl)decanediamide;4-[3-oxo-3-(tetradecylamino)propyl]-N,N'-di(tetradecyl)decanediamide;4-propyl-N,N'-di(tetradecyl)heptanediamide;N-tetradecylheptanamide
CID 123155920
N-hexyl-6-methylheptanamide
CID 141197249
N-(13-hydroxy-3-pentyltridecyl)tetradecanamide
CID 18542093
N-hexyl-N'-(7-methyldecyl)pentanediamide
CID 167061111
N-(2-hydroxyethyl)heptadecanamide
CID 14455158
N-(2-hydroxyethyl)pentacosanamide
CID 14455162
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
14-methyl-4,10-dipropylheptadecan-1-ol
CID 118203440
3-(7-methyloctanoylamino)propanoic acid
CID 115729984
N-(2-aminoethyl)-7-methyloctanamide
CID 145373236
ethane;N-(3-methylbutyl)octadecanamide
CID 172601405

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-10,14-dimethyl-6-propylpentadecanamide?
The IUPAC name of N-(2-hydroxyethyl)-10,14-dimethyl-6-propylpentadecanamide (CID 123167057) is N-(2-hydroxyethyl)-10,14-dimethyl-6-propylpentadecanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-10,14-dimethyl-6-propylpentadecanamide?
The canonical SMILES for N-(2-hydroxyethyl)-10,14-dimethyl-6-propylpentadecanamide is CCCC(CCCCC(=O)NCCO)CCCC(C)CCCC(C)C.
What is the InChIKey of N-(2-hydroxyethyl)-10,14-dimethyl-6-propylpentadecanamide?
The InChIKey is DGFXIUQTHSXLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45NO2/c1-5-10-21(14-6-7-16-22(25)23-17-18-24)15-9-13-20(4)12-8-11-19(2)3/h19-21,24H,5-18H2,1-4H3,(H,23,25).
What are the key properties of N-(2-hydroxyethyl)-10,14-dimethyl-6-propylpentadecanamide?
N-(2-hydroxyethyl)-10,14-dimethyl-6-propylpentadecanamide has a molecular weight of 355.61 g/mol, XLogP of 5.70, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-10,14-dimethyl-6-propylpentadecanamide is sourced from PubChem (CID 123167057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).