N-(2-phenoxyethyl)azepane-2-carboxamide

C15H22N2O2 — CID 64562494

IUPACN-(2-phenoxyethyl)azepane-2-carboxamide
SMILESO=C(NCCOc1ccccc1)C1CCCCCN1
InChIInChI=1S/C15H22N2O2/c18-15(14-9-5-2-6-10-16-14)17-11-12-19-13-7-3-1-4-8-13/h1,3-4,7-8,14,16H,2,5-6,9-12H2,(H,17,18)
InChIKeyIEDUKGNWKVFCLH-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.71
Rot. Bonds5

About N-(2-phenoxyethyl)azepane-2-carboxamide

N-(2-phenoxyethyl)azepane-2-carboxamide (PubChem CID 64562494) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-(2-phenoxyethyl)azepane-2-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyethyl)azepane-2-carboxamide
PubChem CID64562494
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-(2-phenoxyethyl)azepane-2-carboxamide
SMILESO=C(NCCOc1ccccc1)C1CCCCCN1
InChIInChI=1S/C15H22N2O2/c18-15(14-9-5-2-6-10-16-14)17-11-12-19-13-7-3-1-4-8-13/h1,3-4,7-8,14,16H,2,5-6,9-12H2,(H,17,18)
InChIKeyIEDUKGNWKVFCLH-UHFFFAOYSA-N
XLogP1.71
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 58563871
N-(2-phenoxyethyl)piperidine-2-carboxamide
CID 55017247
N-(3-phenoxypropyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119274134
N-[2-(4-methylphenoxy)ethyl]piperidine-2-carboxamide
CID 119266821
N-[2-(3-chlorophenoxy)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119295688
N-[3-(4-methylphenoxy)propyl]piperidine-2-carboxamide
CID 119308262
N-[2-(4-propan-2-ylphenoxy)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119295995
N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119266831
N-(2-phenoxyethyl)cyclohexanecarboxamide
CID 2298971
N-(2-phenoxyethyl)cyclopentanecarboxamide
CID 30349598
N-[2-(2-fluorophenoxy)ethyl]pyrrolidine-2-carboxamide
CID 110481245
2-phenoxyethyl (2R)-piperidine-2-carboxylate
CID 79034822

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyethyl)azepane-2-carboxamide?
The IUPAC name of N-(2-phenoxyethyl)azepane-2-carboxamide (CID 64562494) is N-(2-phenoxyethyl)azepane-2-carboxamide.
What is the SMILES notation for N-(2-phenoxyethyl)azepane-2-carboxamide?
The canonical SMILES for N-(2-phenoxyethyl)azepane-2-carboxamide is O=C(NCCOc1ccccc1)C1CCCCCN1.
What is the InChIKey of N-(2-phenoxyethyl)azepane-2-carboxamide?
The InChIKey is IEDUKGNWKVFCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c18-15(14-9-5-2-6-10-16-14)17-11-12-19-13-7-3-1-4-8-13/h1,3-4,7-8,14,16H,2,5-6,9-12H2,(H,17,18).
What are the key properties of N-(2-phenoxyethyl)azepane-2-carboxamide?
N-(2-phenoxyethyl)azepane-2-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyethyl)azepane-2-carboxamide is sourced from PubChem (CID 64562494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).