N-(hydroxymethyl)-3-tetradecylbenzamide

C22H37NO2 — CID 57272721

IUPACN-(hydroxymethyl)-3-tetradecylbenzamide
SMILESCCCCCCCCCCCCCCc1cccc(C(=O)NCO)c1
InChIInChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-20-16-14-17-21(18-20)22(25)23-19-24/h14,16-18,24H,2-13,15,19H2,1H3,(H,23,25)
InChIKeyPNWSSJYDOYZYRJ-UHFFFAOYSA-N
MW347.54 g/mol
LogP5.61
Rot. Bonds15

About N-(hydroxymethyl)-3-tetradecylbenzamide

N-(hydroxymethyl)-3-tetradecylbenzamide (PubChem CID 57272721) has the molecular formula C22H37NO2 and a molecular weight of 347.54 g/mol. Its IUPAC name is N-(hydroxymethyl)-3-tetradecylbenzamide.

Molecular Properties

Compound NameN-(hydroxymethyl)-3-tetradecylbenzamide
PubChem CID57272721
Molecular FormulaC22H37NO2
Molecular Weight347.54 g/mol
Exact Mass347.28
IUPAC NameN-(hydroxymethyl)-3-tetradecylbenzamide
SMILESCCCCCCCCCCCCCCc1cccc(C(=O)NCO)c1
InChIInChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-20-16-14-17-21(18-20)22(25)23-19-24/h14,16-18,24H,2-13,15,19H2,1H3,(H,23,25)
InChIKeyPNWSSJYDOYZYRJ-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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[(3-hexylbenzoyl)amino]acetate
CID 138465630
N-butyl-3-(4-hydroxybutyl)benzamide
CID 54320849
3-octylbenzoate
CID 140615261
N-acetyl-3-octadec-7-enylbenzamide
CID 142668862
N-hydroxy-N-methyl-3-tridecylbenzamide
CID 159220430
sodium 3-pentylbenzoate
CID 169082106
3-octadec-7-enylbenzoic acid
CID 142668812
N-(hydroxymethyl)-3-tridec-1-enylbenzamide
CID 57068829
acetyl 3-octylbenzoate
CID 57291540
N-[2-(ethylamino)-2-oxoethyl]-3-propylbenzamide
CID 71109879
methanol;2-oxo-2-(3-pentylphenyl)acetic acid
CID 144699085
1,3-di(tetradecyl)benzene
CID 91053224

Frequently Asked Questions

What is the IUPAC name of N-(hydroxymethyl)-3-tetradecylbenzamide?
The IUPAC name of N-(hydroxymethyl)-3-tetradecylbenzamide (CID 57272721) is N-(hydroxymethyl)-3-tetradecylbenzamide.
What is the SMILES notation for N-(hydroxymethyl)-3-tetradecylbenzamide?
The canonical SMILES for N-(hydroxymethyl)-3-tetradecylbenzamide is CCCCCCCCCCCCCCc1cccc(C(=O)NCO)c1.
What is the InChIKey of N-(hydroxymethyl)-3-tetradecylbenzamide?
The InChIKey is PNWSSJYDOYZYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-20-16-14-17-21(18-20)22(25)23-19-24/h14,16-18,24H,2-13,15,19H2,1H3,(H,23,25).
What are the key properties of N-(hydroxymethyl)-3-tetradecylbenzamide?
N-(hydroxymethyl)-3-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 N-(hydroxymethyl)-3-tetradecylbenzamide is sourced from PubChem (CID 57272721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).