4-(butanoylamino)-N-hexylbenzamide

C17H26N2O2 — CID 3934901

IUPAC4-(butanoylamino)-N-hexylbenzamide
SMILESCCCCCCNC(=O)c1ccc(NC(=O)CCC)cc1
InChIInChI=1S/C17H26N2O2/c1-3-5-6-7-13-18-17(21)14-9-11-15(12-10-14)19-16(20)8-4-2/h9-12H,3-8,13H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyUZCYAVYQMFHTKE-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.74
Rot. Bonds9

About 4-(butanoylamino)-N-hexylbenzamide

4-(butanoylamino)-N-hexylbenzamide (PubChem CID 3934901) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-(butanoylamino)-N-hexylbenzamide.

Molecular Properties

Compound Name4-(butanoylamino)-N-hexylbenzamide
PubChem CID3934901
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name4-(butanoylamino)-N-hexylbenzamide
SMILESCCCCCCNC(=O)c1ccc(NC(=O)CCC)cc1
InChIInChI=1S/C17H26N2O2/c1-3-5-6-7-13-18-17(21)14-9-11-15(12-10-14)19-16(20)8-4-2/h9-12H,3-8,13H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyUZCYAVYQMFHTKE-UHFFFAOYSA-N
XLogP3.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.74
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

4-(decanoylamino)-N-nonylbenzamide
CID 3464563
N-hexyl-4-(propanoylamino)benzamide
CID 17257310
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940
N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
CID 17195941
4-(hexanoylamino)-N-propylbenzamide
CID 17218821
N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
CID 17219363
4-(butanoylamino)-N-(2-methoxyethyl)benzamide
CID 4265355
N-butyl-4-[[2-[4-(butylcarbamoyl)anilino]-2-oxoethyl]amino]benzamide
CID 54832366
N-pentyl-4-(propylamino)benzamide
CID 62185567
CID 131885807
CID 131885807
N-decyl-4-hydroxybenzamide
CID 15277871

Frequently Asked Questions

What is the IUPAC name of 4-(butanoylamino)-N-hexylbenzamide?
The IUPAC name of 4-(butanoylamino)-N-hexylbenzamide (CID 3934901) is 4-(butanoylamino)-N-hexylbenzamide.
What is the SMILES notation for 4-(butanoylamino)-N-hexylbenzamide?
The canonical SMILES for 4-(butanoylamino)-N-hexylbenzamide is CCCCCCNC(=O)c1ccc(NC(=O)CCC)cc1.
What is the InChIKey of 4-(butanoylamino)-N-hexylbenzamide?
The InChIKey is UZCYAVYQMFHTKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-5-6-7-13-18-17(21)14-9-11-15(12-10-14)19-16(20)8-4-2/h9-12H,3-8,13H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 4-(butanoylamino)-N-hexylbenzamide?
4-(butanoylamino)-N-hexylbenzamide has a molecular weight of 290.41 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butanoylamino)-N-hexylbenzamide is sourced from PubChem (CID 3934901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).