N-ethyl-4-hydroxy-N-tridecylbenzamide

C22H37NO2 — CID 169026642

IUPACN-ethyl-4-hydroxy-N-tridecylbenzamide
SMILESCCCCCCCCCCCCCN(CC)C(=O)c1ccc(O)cc1
InChIInChI=1S/C22H37NO2/c1-3-5-6-7-8-9-10-11-12-13-14-19-23(4-2)22(25)20-15-17-21(24)18-16-20/h15-18,24H,3-14,19H2,1-2H3
InChIKeySBQZGMCGNIVLJO-UHFFFAOYSA-N
MW347.54 g/mol
LogP6.17
Rot. Bonds14

About N-ethyl-4-hydroxy-N-tridecylbenzamide

N-ethyl-4-hydroxy-N-tridecylbenzamide (PubChem CID 169026642) has the molecular formula C22H37NO2 and a molecular weight of 347.54 g/mol. Its IUPAC name is N-ethyl-4-hydroxy-N-tridecylbenzamide.

Molecular Properties

Compound NameN-ethyl-4-hydroxy-N-tridecylbenzamide
PubChem CID169026642
Molecular FormulaC22H37NO2
Molecular Weight347.54 g/mol
Exact Mass347.28
IUPAC NameN-ethyl-4-hydroxy-N-tridecylbenzamide
SMILESCCCCCCCCCCCCCN(CC)C(=O)c1ccc(O)cc1
InChIInChI=1S/C22H37NO2/c1-3-5-6-7-8-9-10-11-12-13-14-19-23(4-2)22(25)20-15-17-21(24)18-16-20/h15-18,24H,3-14,19H2,1-2H3
InChIKeySBQZGMCGNIVLJO-UHFFFAOYSA-N
XLogP6.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.54
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-ethyl-N-octylbenzamide
CID 91716392
N-ethyl-N-heptyl-4-nitrobenzamide
CID 91721036
4-formyl-N-hexyl-N-pentylbenzamide
CID 59994993
N-decyl-4-hydroxy-N-(4-hydroxyphenyl)benzamide
CID 168861521
4-ethyl-N,N-dihexylbenzamide
CID 533235
4-amino-N,N-didodecylbenzamide
CID 5077826
N-butyl-N-decyl-4-ethylbenzamide
CID 91714679
4-bromo-N,N-dipentylbenzamide
CID 4599077
4-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115772047
4-(dioctadecylcarbamoyl)benzenesulfonic acid
CID 126642687
N,N-didecyl-4-(trifluoromethyl)benzamide
CID 532962
N-(2,2-diaminoacetyl)-4-hydroxy-N-octylbenzamide
CID 67571411

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-hydroxy-N-tridecylbenzamide?
The IUPAC name of N-ethyl-4-hydroxy-N-tridecylbenzamide (CID 169026642) is N-ethyl-4-hydroxy-N-tridecylbenzamide.
What is the SMILES notation for N-ethyl-4-hydroxy-N-tridecylbenzamide?
The canonical SMILES for N-ethyl-4-hydroxy-N-tridecylbenzamide is CCCCCCCCCCCCCN(CC)C(=O)c1ccc(O)cc1.
What is the InChIKey of N-ethyl-4-hydroxy-N-tridecylbenzamide?
The InChIKey is SBQZGMCGNIVLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H37NO2/c1-3-5-6-7-8-9-10-11-12-13-14-19-23(4-2)22(25)20-15-17-21(24)18-16-20/h15-18,24H,3-14,19H2,1-2H3.
What are the key properties of N-ethyl-4-hydroxy-N-tridecylbenzamide?
N-ethyl-4-hydroxy-N-tridecylbenzamide has a molecular weight of 347.54 g/mol, XLogP of 6.17, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-hydroxy-N-tridecylbenzamide is sourced from PubChem (CID 169026642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).