4-(hexanoylamino)-N-propylbenzamide

C16H24N2O2 — CID 17218821

IUPAC4-(hexanoylamino)-N-propylbenzamide
SMILESCCCCCC(=O)Nc1ccc(C(=O)NCCC)cc1
InChIInChI=1S/C16H24N2O2/c1-3-5-6-7-15(19)18-14-10-8-13(9-11-14)16(20)17-12-4-2/h8-11H,3-7,12H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyHFYIRFCYZWGCLG-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.35
Rot. Bonds8

About 4-(hexanoylamino)-N-propylbenzamide

4-(hexanoylamino)-N-propylbenzamide (PubChem CID 17218821) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-(hexanoylamino)-N-propylbenzamide.

Molecular Properties

Compound Name4-(hexanoylamino)-N-propylbenzamide
PubChem CID17218821
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-(hexanoylamino)-N-propylbenzamide
SMILESCCCCCC(=O)Nc1ccc(C(=O)NCCC)cc1
InChIInChI=1S/C16H24N2O2/c1-3-5-6-7-15(19)18-14-10-8-13(9-11-14)16(20)17-12-4-2/h8-11H,3-7,12H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyHFYIRFCYZWGCLG-UHFFFAOYSA-N
XLogP3.35
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.35
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

N,N'-bis[4-(propylcarbamoyl)phenyl]hexanediamide
CID 17219362
N,N'-bis[4-(propylcarbamoyl)phenyl]pentanediamide
CID 17219363
4-(decanoylamino)-N-nonylbenzamide
CID 3464563
N,N'-bis[4-(butylcarbamoyl)phenyl]hexanediamide
CID 17195940
N,N'-bis[4-(butylcarbamoyl)phenyl]pentanediamide
CID 17195941
4-(butanoylamino)-N-hexylbenzamide
CID 3934901
1-N,4-N-bis[4-(propylcarbamoyl)phenyl]benzene-1,4-dicarboxamide
CID 17219360
N-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide
CID 4953980
N-hexyl-4-(propanoylamino)benzamide
CID 17257310
N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide
CID 17218594
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide
CID 4958829

Frequently Asked Questions

What is the IUPAC name of 4-(hexanoylamino)-N-propylbenzamide?
The IUPAC name of 4-(hexanoylamino)-N-propylbenzamide (CID 17218821) is 4-(hexanoylamino)-N-propylbenzamide.
What is the SMILES notation for 4-(hexanoylamino)-N-propylbenzamide?
The canonical SMILES for 4-(hexanoylamino)-N-propylbenzamide is CCCCCC(=O)Nc1ccc(C(=O)NCCC)cc1.
What is the InChIKey of 4-(hexanoylamino)-N-propylbenzamide?
The InChIKey is HFYIRFCYZWGCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-5-6-7-15(19)18-14-10-8-13(9-11-14)16(20)17-12-4-2/h8-11H,3-7,12H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 4-(hexanoylamino)-N-propylbenzamide?
4-(hexanoylamino)-N-propylbenzamide has a molecular weight of 276.38 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hexanoylamino)-N-propylbenzamide is sourced from PubChem (CID 17218821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).