2-(hydroxymethyl)-N-tetradecylbenzamide

C22H37NO2 — CID 23299401

IUPAC2-(hydroxymethyl)-N-tetradecylbenzamide
SMILESCCCCCCCCCCCCCCNC(=O)c1ccccc1CO
InChIInChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-23-22(25)21-17-14-13-16-20(21)19-24/h13-14,16-17,24H,2-12,15,18-19H2,1H3,(H,23,25)
InChIKeyTYZHWMPWMGPYEW-UHFFFAOYSA-N
MW347.54 g/mol
LogP5.61
Rot. Bonds15

About 2-(hydroxymethyl)-N-tetradecylbenzamide

2-(hydroxymethyl)-N-tetradecylbenzamide (PubChem CID 23299401) has the molecular formula C22H37NO2 and a molecular weight of 347.54 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-tetradecylbenzamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-tetradecylbenzamide
PubChem CID23299401
Molecular FormulaC22H37NO2
Molecular Weight347.54 g/mol
Exact Mass347.28
IUPAC Name2-(hydroxymethyl)-N-tetradecylbenzamide
SMILESCCCCCCCCCCCCCCNC(=O)c1ccccc1CO
InChIInChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-23-22(25)21-17-14-13-16-20(21)19-24/h13-14,16-17,24H,2-12,15,18-19H2,1H3,(H,23,25)
InChIKeyTYZHWMPWMGPYEW-UHFFFAOYSA-N
XLogP5.61
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.54
LogP ≤ 55.61
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

2-ethyl-N-(6-hydroxyhexyl)benzamide
CID 103918854
N-dodecylnaphthalene-1-carboxamide
CID 4278758
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
N-hexyl-2-methylbenzamide
CID 3017102
2-chloro-N-undecylbenzamide
CID 3373978
2-(nonylcarbamoyl)benzoic acid
CID 177437719
2-amino-N-dodecylbenzamide
CID 54099396
2-N-benzyl-1-N-pentylbenzene-1,2-dicarboxamide
CID 164886020
2-(pentylcarbamoyl)benzoate
CID 7429981
[2-(octadecylcarbamoyl)phenyl]methyl N-(2-aminoethyl)carbamate
CID 23299368
2-ethylsulfonyl-N-heptylbenzamide
CID 46779028
2-[2-(octylamino)-2-oxoethyl]benzoic acid
CID 104601721

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-tetradecylbenzamide?
The IUPAC name of 2-(hydroxymethyl)-N-tetradecylbenzamide (CID 23299401) is 2-(hydroxymethyl)-N-tetradecylbenzamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-tetradecylbenzamide?
The canonical SMILES for 2-(hydroxymethyl)-N-tetradecylbenzamide is CCCCCCCCCCCCCCNC(=O)c1ccccc1CO.
What is the InChIKey of 2-(hydroxymethyl)-N-tetradecylbenzamide?
The InChIKey is TYZHWMPWMGPYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-15-18-23-22(25)21-17-14-13-16-20(21)19-24/h13-14,16-17,24H,2-12,15,18-19H2,1H3,(H,23,25).
What are the key properties of 2-(hydroxymethyl)-N-tetradecylbenzamide?
2-(hydroxymethyl)-N-tetradecylbenzamide has a molecular weight of 347.54 g/mol, XLogP of 5.61, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-tetradecylbenzamide is sourced from PubChem (CID 23299401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).