N-[3-(4-methylphenoxy)propyl]azepane-1-carboxamide

C17H26N2O2 — CID 108881332

IUPACN-[3-(4-methylphenoxy)propyl]azepane-1-carboxamide
SMILESCc1ccc(OCCCNC(=O)N2CCCCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-15-7-9-16(10-8-15)21-14-6-11-18-17(20)19-12-4-2-3-5-13-19/h7-10H,2-6,11-14H2,1H3,(H,18,20)
InChIKeyOIQYEFZZXOWQJI-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.35
Rot. Bonds5

About N-[3-(4-methylphenoxy)propyl]azepane-1-carboxamide

N-[3-(4-methylphenoxy)propyl]azepane-1-carboxamide (PubChem CID 108881332) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[3-(4-methylphenoxy)propyl]azepane-1-carboxamide.

Molecular Properties

Compound NameN-[3-(4-methylphenoxy)propyl]azepane-1-carboxamide
PubChem CID108881332
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC NameN-[3-(4-methylphenoxy)propyl]azepane-1-carboxamide
SMILESCc1ccc(OCCCNC(=O)N2CCCCCC2)cc1
InChIInChI=1S/C17H26N2O2/c1-15-7-9-16(10-8-15)21-14-6-11-18-17(20)19-12-4-2-3-5-13-19/h7-10H,2-6,11-14H2,1H3,(H,18,20)
InChIKeyOIQYEFZZXOWQJI-UHFFFAOYSA-N
XLogP3.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.35
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-(4-methylphenoxy)ethyl]azepane-1-carboxamide
CID 112970074
methyl 4-[3-(4-methylphenoxy)propylcarbamoyl]piperazine-1-carboxylate
CID 108881529
N-[3-(4-tert-butylphenoxy)propyl]pyrrolidine-1-carboxamide
CID 108882798
4-(2-hydroxyethyl)-N-[3-(4-methylphenoxy)propyl]piperazine-1-carboxamide
CID 108881347
N-[2-(4-propan-2-ylphenoxy)ethyl]azepane-1-carboxamide
CID 112972579
N-[2-(3,5-dimethoxyphenoxy)ethyl]piperidine-1-carboxamide
CID 112975604
N-[2-(3,4-difluorophenoxy)ethyl]azepane-1-carboxamide
CID 112976355
N-[2-(2,4-dimethylphenoxy)ethyl]pyrrolidine-1-carboxamide
CID 112973603
N-[3-(4-methylphenoxy)propyl]acetamide
CID 58966904
N-[2-(2,6-dimethylphenoxy)ethyl]azepane-1-carboxamide
CID 112973327
1-N-[3-(4-methoxyphenoxy)propyl]piperidine-1,4-dicarboxamide
CID 56798865
N-(4-butoxyphenyl)piperidine-1-carboxamide
CID 3042761

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylphenoxy)propyl]azepane-1-carboxamide?
The IUPAC name of N-[3-(4-methylphenoxy)propyl]azepane-1-carboxamide (CID 108881332) is N-[3-(4-methylphenoxy)propyl]azepane-1-carboxamide.
What is the SMILES notation for N-[3-(4-methylphenoxy)propyl]azepane-1-carboxamide?
The canonical SMILES for N-[3-(4-methylphenoxy)propyl]azepane-1-carboxamide is Cc1ccc(OCCCNC(=O)N2CCCCCC2)cc1.
What is the InChIKey of N-[3-(4-methylphenoxy)propyl]azepane-1-carboxamide?
The InChIKey is OIQYEFZZXOWQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-15-7-9-16(10-8-15)21-14-6-11-18-17(20)19-12-4-2-3-5-13-19/h7-10H,2-6,11-14H2,1H3,(H,18,20).
What are the key properties of N-[3-(4-methylphenoxy)propyl]azepane-1-carboxamide?
N-[3-(4-methylphenoxy)propyl]azepane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylphenoxy)propyl]azepane-1-carboxamide is sourced from PubChem (CID 108881332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).