1H-azepine;N-pentylbenzamide

C18H24N2O — CID 175240845

IUPAC1H-azepine;N-pentylbenzamide
SMILESC1=CC=CNC=C1.CCCCCNC(=O)c1ccccc1
InChIInChI=1S/C12H17NO.C6H7N/c1-2-3-7-10-13-12(14)11-8-5-4-6-9-11;1-2-4-6-7-5-3-1/h4-6,8-9H,2-3,7,10H2,1H3,(H,13,14);1-7H
InChIKeyDUUOPYSNJVKRHF-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.78
Rot. Bonds5

About 1H-azepine;N-pentylbenzamide

1H-azepine;N-pentylbenzamide (PubChem CID 175240845) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 1H-azepine;N-pentylbenzamide.

Molecular Properties

Compound Name1H-azepine;N-pentylbenzamide
PubChem CID175240845
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name1H-azepine;N-pentylbenzamide
SMILESC1=CC=CNC=C1.CCCCCNC(=O)c1ccccc1
InChIInChI=1S/C12H17NO.C6H7N/c1-2-3-7-10-13-12(14)11-8-5-4-6-9-11;1-2-4-6-7-5-3-1/h4-6,8-9H,2-3,7,10H2,1H3,(H,13,14);1-7H
InChIKeyDUUOPYSNJVKRHF-UHFFFAOYSA-N
XLogP3.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.78
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-[3-oxo-3-(pentylamino)propyl]benzamide
CID 17154443
N-octadec-9-enylbenzamide
CID 54554566
N-[3-(hexylamino)-3-oxopropyl]benzamide
CID 17154430
CID 131885807
CID 131885807
N-[4-(butylamino)-4-oxobutyl]benzamide
CID 78795173
N-butyl-4-phenylbenzamide
CID 3637649
N-[4-(tetradecylcarbamoylamino)phenyl]benzamide
CID 24820448
N-(3,4-diaminodecyl)benzamide
CID 174528291
3-benzamido-4-methyl-N-pentylbenzamide
CID 17226355
N-[3-[[amino-(octylamino)methylidene]amino]propyl]benzamide
CID 111094065
N-pentyl-4-(propylamino)benzamide
CID 62185567
2-benzamidoethyl-dimethyl-octylazanium
CID 101426942

Frequently Asked Questions

What is the IUPAC name of 1H-azepine;N-pentylbenzamide?
The IUPAC name of 1H-azepine;N-pentylbenzamide (CID 175240845) is 1H-azepine;N-pentylbenzamide.
What is the SMILES notation for 1H-azepine;N-pentylbenzamide?
The canonical SMILES for 1H-azepine;N-pentylbenzamide is C1=CC=CNC=C1.CCCCCNC(=O)c1ccccc1.
What is the InChIKey of 1H-azepine;N-pentylbenzamide?
The InChIKey is DUUOPYSNJVKRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO.C6H7N/c1-2-3-7-10-13-12(14)11-8-5-4-6-9-11;1-2-4-6-7-5-3-1/h4-6,8-9H,2-3,7,10H2,1H3,(H,13,14);1-7H.
What are the key properties of 1H-azepine;N-pentylbenzamide?
1H-azepine;N-pentylbenzamide has a molecular weight of 284.40 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-azepine;N-pentylbenzamide is sourced from PubChem (CID 175240845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).