N-[2-(azepane-1-carbonyl)phenyl]octanamide

C21H32N2O2 — CID 4958626

IUPACN-[2-(azepane-1-carbonyl)phenyl]octanamide
SMILESCCCCCCCC(=O)Nc1ccccc1C(=O)N1CCCCCC1
InChIInChI=1S/C21H32N2O2/c1-2-3-4-5-8-15-20(24)22-19-14-10-9-13-18(19)21(25)23-16-11-6-7-12-17-23/h9-10,13-14H,2-8,11-12,15-17H2,1H3,(H,22,24)
InChIKeyBKKVBQIMOPLBQV-UHFFFAOYSA-N
MW344.50 g/mol
LogP5.00
Rot. Bonds8

About N-[2-(azepane-1-carbonyl)phenyl]octanamide

N-[2-(azepane-1-carbonyl)phenyl]octanamide (PubChem CID 4958626) has the molecular formula C21H32N2O2 and a molecular weight of 344.50 g/mol. Its IUPAC name is N-[2-(azepane-1-carbonyl)phenyl]octanamide.

Molecular Properties

Compound NameN-[2-(azepane-1-carbonyl)phenyl]octanamide
PubChem CID4958626
Molecular FormulaC21H32N2O2
Molecular Weight344.50 g/mol
Exact Mass344.25
IUPAC NameN-[2-(azepane-1-carbonyl)phenyl]octanamide
SMILESCCCCCCCC(=O)Nc1ccccc1C(=O)N1CCCCCC1
InChIInChI=1S/C21H32N2O2/c1-2-3-4-5-8-15-20(24)22-19-14-10-9-13-18(19)21(25)23-16-11-6-7-12-17-23/h9-10,13-14H,2-8,11-12,15-17H2,1H3,(H,22,24)
InChIKeyBKKVBQIMOPLBQV-UHFFFAOYSA-N
XLogP5.00
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(piperidine-1-carbonyl)phenyl]hexanamide
CID 4953779
N-[2-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 30336776
N,N'-bis[2-(piperidine-1-carbonyl)phenyl]decanediamide
CID 17080136
N-[[2-(azepane-1-carbonyl)phenyl]carbamothioyl]heptanamide
CID 54789040
N-[[2-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]heptanamide
CID 54789366
7-amino-N-[2-(pyrrolidine-1-carbonyl)phenyl]heptanamide;hydrochloride
CID 119684692
5-oxo-5-[2-(piperidine-1-carbonyl)anilino]pentanoic acid
CID 727281
2-(hexacosanoylamino)benzoic acid
CID 123304158
N,N'-bis[2-(morpholine-4-carbonyl)phenyl]decanediamide
CID 17080133
3-(4-ethylphenyl)-N-[2-(piperidine-1-carbonyl)phenyl]propanamide
CID 41467944
2-amino-N-[2-(piperidine-1-carbonyl)phenyl]acetamide;hydrochloride
CID 119268834
N-[[2-(morpholine-4-carbonyl)phenyl]carbamothioyl]tetradecanamide
CID 54791918

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepane-1-carbonyl)phenyl]octanamide?
The IUPAC name of N-[2-(azepane-1-carbonyl)phenyl]octanamide (CID 4958626) is N-[2-(azepane-1-carbonyl)phenyl]octanamide.
What is the SMILES notation for N-[2-(azepane-1-carbonyl)phenyl]octanamide?
The canonical SMILES for N-[2-(azepane-1-carbonyl)phenyl]octanamide is CCCCCCCC(=O)Nc1ccccc1C(=O)N1CCCCCC1.
What is the InChIKey of N-[2-(azepane-1-carbonyl)phenyl]octanamide?
The InChIKey is BKKVBQIMOPLBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O2/c1-2-3-4-5-8-15-20(24)22-19-14-10-9-13-18(19)21(25)23-16-11-6-7-12-17-23/h9-10,13-14H,2-8,11-12,15-17H2,1H3,(H,22,24).
What are the key properties of N-[2-(azepane-1-carbonyl)phenyl]octanamide?
N-[2-(azepane-1-carbonyl)phenyl]octanamide has a molecular weight of 344.50 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepane-1-carbonyl)phenyl]octanamide is sourced from PubChem (CID 4958626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).