N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]tetradecanamide

C26H45NO2 — CID 71453038

IUPACN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCC(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H45NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-25(29)27-21-24(28)22-17-19-23(20-18-22)26(2,3)4/h17-20,24,28H,5-16,21H2,1-4H3,(H,27,29)
InChIKeyFTNQLELDVVYMHS-UHFFFAOYSA-N
MW403.65 g/mol
LogP6.83
Rot. Bonds15

About N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]tetradecanamide

N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]tetradecanamide (PubChem CID 71453038) has the molecular formula C26H45NO2 and a molecular weight of 403.65 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]tetradecanamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]tetradecanamide
PubChem CID71453038
Molecular FormulaC26H45NO2
Molecular Weight403.65 g/mol
Exact Mass403.35
IUPAC NameN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]tetradecanamide
SMILESCCCCCCCCCCCCCC(=O)NCC(O)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C26H45NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-25(29)27-21-24(28)22-17-19-23(20-18-22)26(2,3)4/h17-20,24,28H,5-16,21H2,1-4H3,(H,27,29)
InChIKeyFTNQLELDVVYMHS-UHFFFAOYSA-N
XLogP6.83
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.65
LogP ≤ 56.83
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-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tridecanamide
CID 10045162
N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]tetradecanamide
CID 11143662
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]pentadecanamide
CID 10971504
N-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)acetamide
CID 5079333
D-erythro-MAPP
CID 124735
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]dodecanamide
CID 11046702
(+/-)N-(1-methyl-2-hydroxy-2-phenyl-ethyl) arachidonyl amine
CID 5283415
2-hydroxy-N-methyl-2-phenylacetamide
CID 572063
Secodemethylclausenamide
CID 70378439
N-[(1R,3R)-3-hydroxy-1-(hydroxymethyl)-3-phenylpropyl]hexadecanamide
CID 11080284
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]undecanamide
CID 11035480
N-[(2R,4R)-1,4-dihydroxy-4-phenylbutan-2-yl]decanamide
CID 11099742

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]tetradecanamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]tetradecanamide (CID 71453038) is N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]tetradecanamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]tetradecanamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]tetradecanamide is CCCCCCCCCCCCCC(=O)NCC(O)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]tetradecanamide?
The InChIKey is FTNQLELDVVYMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-25(29)27-21-24(28)22-17-19-23(20-18-22)26(2,3)4/h17-20,24,28H,5-16,21H2,1-4H3,(H,27,29).
What are the key properties of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]tetradecanamide?
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]tetradecanamide has a molecular weight of 403.65 g/mol, XLogP of 6.83, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]tetradecanamide is sourced from PubChem (CID 71453038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).