4-hydroxy-N-[(tetradecanoylamino)methyl]benzamide

C22H36N2O3 — CID 19594231

IUPAC4-hydroxy-N-[(tetradecanoylamino)methyl]benzamide
SMILESCCCCCCCCCCCCCC(=O)NCNC(=O)c1ccc(O)cc1
InChIInChI=1S/C22H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(26)23-18-24-22(27)19-14-16-20(25)17-15-19/h14-17,25H,2-13,18H2,1H3,(H,23,26)(H,24,27)
InChIKeyTTWFBEMRGROPGA-UHFFFAOYSA-N
MW376.54 g/mol
LogP4.90
Rot. Bonds15

About 4-hydroxy-N-[(tetradecanoylamino)methyl]benzamide

4-hydroxy-N-[(tetradecanoylamino)methyl]benzamide (PubChem CID 19594231) has the molecular formula C22H36N2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is 4-hydroxy-N-[(tetradecanoylamino)methyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[(tetradecanoylamino)methyl]benzamide
PubChem CID19594231
Molecular FormulaC22H36N2O3
Molecular Weight376.54 g/mol
Exact Mass376.27
IUPAC Name4-hydroxy-N-[(tetradecanoylamino)methyl]benzamide
SMILESCCCCCCCCCCCCCC(=O)NCNC(=O)c1ccc(O)cc1
InChIInChI=1S/C22H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(26)23-18-24-22(27)19-14-16-20(25)17-15-19/h14-17,25H,2-13,18H2,1H3,(H,23,26)(H,24,27)
InChIKeyTTWFBEMRGROPGA-UHFFFAOYSA-N
XLogP4.90
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-hentriacontanoyl-4-hydroxybenzamide
CID 139845214
N-decyl-4-hydroxybenzamide
CID 15277871
N-[[[2-(4-hydroxyphenyl)sulfanylacetyl]amino]methyl]tetradecanamide
CID 54548029
N-[(octadecanoylamino)methyl]tetracosanamide
CID 123600092
4-(4-hydroxyphenyl)sulfanyl-N-[(octadecylcarbamoylamino)methyl]benzamide
CID 22354845
1-(4-hydroxyphenyl)nonan-1-one
CID 170171737
N-[2-(4-hydroxyanilino)-2-oxoethyl]heptanamide
CID 22082464
N-[2-(4-hydroxyanilino)ethyl]octadecanamide
CID 54485525
N-[2-(4-hydroxyphenyl)ethyl]hexanamide
CID 21446637
4-methyl-N'-octanoylbenzohydrazide
CID 4958769
N-[6-(4-hydroxyanilino)-6-oxohexyl]octadecanamide
CID 59961397
N-[4-[2-(4-hydroxyphenyl)ethylamino]-4-oxobutyl]docosanamide
CID 59789165

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(tetradecanoylamino)methyl]benzamide?
The IUPAC name of 4-hydroxy-N-[(tetradecanoylamino)methyl]benzamide (CID 19594231) is 4-hydroxy-N-[(tetradecanoylamino)methyl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[(tetradecanoylamino)methyl]benzamide?
The canonical SMILES for 4-hydroxy-N-[(tetradecanoylamino)methyl]benzamide is CCCCCCCCCCCCCC(=O)NCNC(=O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy-N-[(tetradecanoylamino)methyl]benzamide?
The InChIKey is TTWFBEMRGROPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-21(26)23-18-24-22(27)19-14-16-20(25)17-15-19/h14-17,25H,2-13,18H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 4-hydroxy-N-[(tetradecanoylamino)methyl]benzamide?
4-hydroxy-N-[(tetradecanoylamino)methyl]benzamide has a molecular weight of 376.54 g/mol, XLogP of 4.90, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(tetradecanoylamino)methyl]benzamide is sourced from PubChem (CID 19594231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).