4-formyl-N-hexyl-N-pentylbenzamide

C19H29NO2 — CID 59994993

IUPAC4-formyl-N-hexyl-N-pentylbenzamide
SMILESCCCCCCN(CCCCC)C(=O)c1ccc(C=O)cc1
InChIInChI=1S/C19H29NO2/c1-3-5-7-9-15-20(14-8-6-4-2)19(22)18-12-10-17(16-21)11-13-18/h10-13,16H,3-9,14-15H2,1-2H3
InChIKeyDTHSMGFRZJTUTB-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.71
Rot. Bonds11

About 4-formyl-N-hexyl-N-pentylbenzamide

4-formyl-N-hexyl-N-pentylbenzamide (PubChem CID 59994993) has the molecular formula C19H29NO2 and a molecular weight of 303.45 g/mol. Its IUPAC name is 4-formyl-N-hexyl-N-pentylbenzamide.

Molecular Properties

Compound Name4-formyl-N-hexyl-N-pentylbenzamide
PubChem CID59994993
Molecular FormulaC19H29NO2
Molecular Weight303.45 g/mol
Exact Mass303.22
IUPAC Name4-formyl-N-hexyl-N-pentylbenzamide
SMILESCCCCCCN(CCCCC)C(=O)c1ccc(C=O)cc1
InChIInChI=1S/C19H29NO2/c1-3-5-7-9-15-20(14-8-6-4-2)19(22)18-12-10-17(16-21)11-13-18/h10-13,16H,3-9,14-15H2,1-2H3
InChIKeyDTHSMGFRZJTUTB-UHFFFAOYSA-N
XLogP4.71
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.71
H-Bond Donors ≤ 50
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-ethyl-N,N-dihexylbenzamide
CID 533235
4-amino-N,N-didodecylbenzamide
CID 5077826
N-butyl-N-decyl-4-ethylbenzamide
CID 91714679
N-ethyl-4-hydroxy-N-tridecylbenzamide
CID 169026642
4-bromo-N,N-dipentylbenzamide
CID 4599077
4-chloro-N-ethyl-N-octylbenzamide
CID 91716392
N,N-didecyl-4-(trifluoromethyl)benzamide
CID 532962
4-(dioctadecylcarbamoyl)benzenesulfonic acid
CID 126642687
4-(didodecylcarbamoyl)benzenesulfonyl fluoride
CID 126642663
4-nonanoylbenzaldehyde
CID 59691825
4-formyl-N-octylbenzamide
CID 59691779
N-hexyl-N-(2-hydroxyethyl)benzamide
CID 61215400

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-hexyl-N-pentylbenzamide?
The IUPAC name of 4-formyl-N-hexyl-N-pentylbenzamide (CID 59994993) is 4-formyl-N-hexyl-N-pentylbenzamide.
What is the SMILES notation for 4-formyl-N-hexyl-N-pentylbenzamide?
The canonical SMILES for 4-formyl-N-hexyl-N-pentylbenzamide is CCCCCCN(CCCCC)C(=O)c1ccc(C=O)cc1.
What is the InChIKey of 4-formyl-N-hexyl-N-pentylbenzamide?
The InChIKey is DTHSMGFRZJTUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO2/c1-3-5-7-9-15-20(14-8-6-4-2)19(22)18-12-10-17(16-21)11-13-18/h10-13,16H,3-9,14-15H2,1-2H3.
What are the key properties of 4-formyl-N-hexyl-N-pentylbenzamide?
4-formyl-N-hexyl-N-pentylbenzamide has a molecular weight of 303.45 g/mol, XLogP of 4.71, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-hexyl-N-pentylbenzamide is sourced from PubChem (CID 59994993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).