4-formyl-N-tricosylbenzamide

C31H53NO2 — CID 166066746

IUPAC4-formyl-N-tricosylbenzamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCNC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C31H53NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-32-31(34)30-25-23-29(28-33)24-26-30/h23-26,28H,2-22,27H2,1H3,(H,32,34)
InChIKeyDPEMDHJILZHZNO-UHFFFAOYSA-N
MW471.77 g/mol
LogP9.44
Rot. Bonds24

About 4-formyl-N-tricosylbenzamide

4-formyl-N-tricosylbenzamide (PubChem CID 166066746) has the molecular formula C31H53NO2 and a molecular weight of 471.77 g/mol. Its IUPAC name is 4-formyl-N-tricosylbenzamide.

Molecular Properties

Compound Name4-formyl-N-tricosylbenzamide
PubChem CID166066746
Molecular FormulaC31H53NO2
Molecular Weight471.77 g/mol
Exact Mass471.41
IUPAC Name4-formyl-N-tricosylbenzamide
SMILESCCCCCCCCCCCCCCCCCCCCCCCNC(=O)c1ccc(C=O)cc1
InChIInChI=1S/C31H53NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-32-31(34)30-25-23-29(28-33)24-26-30/h23-26,28H,2-22,27H2,1H3,(H,32,34)
InChIKeyDPEMDHJILZHZNO-UHFFFAOYSA-N
XLogP9.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.77
LogP ≤ 59.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-formyl-N-octylbenzamide
CID 59691779
N-butyl-4-formylbenzamide
CID 118474745
N-decyl-4-hydroxybenzamide
CID 15277871
CID 131885807
CID 131885807
4-tert-butyl-N-nonylbenzamide
CID 4642451
N-decyl-4-sulfanylbenzamide
CID 107032455
4-bromo-N-hexadecylbenzamide
CID 54791037
N-hexyl-4-propylbenzamide
CID 70894310
4-(chloromethyl)-N-hexylbenzamide
CID 43168029
methyl 4-(heptadecylcarbamoyl)benzoate
CID 177386884
N-octadecyl-4-[4-(octadecylcarbamoyl)phenoxy]benzamide
CID 44665422
methyl 4-(hexadecylcarbamoyl)benzoate
CID 17178172

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-tricosylbenzamide?
The IUPAC name of 4-formyl-N-tricosylbenzamide (CID 166066746) is 4-formyl-N-tricosylbenzamide.
What is the SMILES notation for 4-formyl-N-tricosylbenzamide?
The canonical SMILES for 4-formyl-N-tricosylbenzamide is CCCCCCCCCCCCCCCCCCCCCCCNC(=O)c1ccc(C=O)cc1.
What is the InChIKey of 4-formyl-N-tricosylbenzamide?
The InChIKey is DPEMDHJILZHZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H53NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-27-32-31(34)30-25-23-29(28-33)24-26-30/h23-26,28H,2-22,27H2,1H3,(H,32,34).
What are the key properties of 4-formyl-N-tricosylbenzamide?
4-formyl-N-tricosylbenzamide has a molecular weight of 471.77 g/mol, XLogP of 9.44, 24 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-tricosylbenzamide is sourced from PubChem (CID 166066746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).