N-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl]tetradecanamide

C20H41NO3 — CID 137393842

IUPACN-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCCOC(C)(C)CO
InChIInChI=1S/C20H41NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-19(23)21-16-17-24-20(2,3)18-22/h22H,4-18H2,1-3H3,(H,21,23)
InChIKeySDVDKKUGZGDGAH-UHFFFAOYSA-N
MW343.55 g/mol
LogP4.59
Rot. Bonds17

About N-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl]tetradecanamide

N-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl]tetradecanamide (PubChem CID 137393842) has the molecular formula C20H41NO3 and a molecular weight of 343.55 g/mol. Its IUPAC name is N-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl]tetradecanamide.

Molecular Properties

Compound NameN-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl]tetradecanamide
PubChem CID137393842
Molecular FormulaC20H41NO3
Molecular Weight343.55 g/mol
Exact Mass343.31
IUPAC NameN-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCCOC(C)(C)CO
InChIInChI=1S/C20H41NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-19(23)21-16-17-24-20(2,3)18-22/h22H,4-18H2,1-3H3,(H,21,23)
InChIKeySDVDKKUGZGDGAH-UHFFFAOYSA-N
XLogP4.59
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.55
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(heptadecanoylamino)ethyl]heptadecanamide
CID 22065407
N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]hexadecanamide
CID 102228656
N-(2-hydroxyethyl)heptadecanamide
CID 14455158
N-(2-hydroxyethyl)pentacosanamide
CID 14455162
6-(hexanoylamino)-N-(7-methoxyheptyl)hexanamide
CID 170966383
N-hexadecylhexanamide
CID 4953738
N-[4-(heptanoylamino)butyl]heptanamide
CID 3363703
N-dodecylhexanamide
CID 3362981
N,N'-dihexadecyldecanediamide
CID 17080069
N-[8-(dodecanoylamino)octyl]dodecanamide
CID 3273664
N-[6-(pentadecanoylamino)hexyl]pentadecanamide
CID 102117556
N-nonyltridecanamide
CID 154228217

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl]tetradecanamide?
The IUPAC name of N-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl]tetradecanamide (CID 137393842) is N-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl]tetradecanamide.
What is the SMILES notation for N-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl]tetradecanamide?
The canonical SMILES for N-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl]tetradecanamide is CCCCCCCCCCCCCC(=O)NCCOC(C)(C)CO.
What is the InChIKey of N-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl]tetradecanamide?
The InChIKey is SDVDKKUGZGDGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-19(23)21-16-17-24-20(2,3)18-22/h22H,4-18H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl]tetradecanamide?
N-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl]tetradecanamide has a molecular weight of 343.55 g/mol, XLogP of 4.59, 17 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl]tetradecanamide is sourced from PubChem (CID 137393842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).