N-[5-(azepan-1-yl)pentyl]-4-phenoxybutanamide

C21H34N2O2 — CID 110443436

IUPACN-[5-(azepan-1-yl)pentyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCCCCCN1CCCCCC1
InChIInChI=1S/C21H34N2O2/c24-21(14-11-19-25-20-12-5-3-6-13-20)22-15-7-4-10-18-23-16-8-1-2-9-17-23/h3,5-6,12-13H,1-2,4,7-11,14-19H2,(H,22,24)
InChIKeyQQJQSFJQNPNDEB-UHFFFAOYSA-N
MW346.51 g/mol
LogP4.01
Rot. Bonds11

About N-[5-(azepan-1-yl)pentyl]-4-phenoxybutanamide

N-[5-(azepan-1-yl)pentyl]-4-phenoxybutanamide (PubChem CID 110443436) has the molecular formula C21H34N2O2 and a molecular weight of 346.51 g/mol. Its IUPAC name is N-[5-(azepan-1-yl)pentyl]-4-phenoxybutanamide.

Molecular Properties

Compound NameN-[5-(azepan-1-yl)pentyl]-4-phenoxybutanamide
PubChem CID110443436
Molecular FormulaC21H34N2O2
Molecular Weight346.51 g/mol
Exact Mass346.26
IUPAC NameN-[5-(azepan-1-yl)pentyl]-4-phenoxybutanamide
SMILESO=C(CCCOc1ccccc1)NCCCCCN1CCCCCC1
InChIInChI=1S/C21H34N2O2/c24-21(14-11-19-25-20-12-5-3-6-13-20)22-15-7-4-10-18-23-16-8-1-2-9-17-23/h3,5-6,12-13H,1-2,4,7-11,14-19H2,(H,22,24)
InChIKeyQQJQSFJQNPNDEB-UHFFFAOYSA-N
XLogP4.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.51
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(2-phenoxyethyl)-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111005043
1-[1-(3-phenoxypropyl)piperidin-4-yl]-6-piperidin-1-ylhexan-1-one
CID 57169720
2-(4-phenylmethoxyphenoxy)-N-(3-piperidin-1-ylpropyl)acetamide
CID 9405904
3-(azepan-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]propanamide
CID 109031021
6-amino-N-(3-phenoxypropyl)hexanamide
CID 62074464
phenyl N-(3-pyrrolidin-1-ylpropyl)carbamate
CID 60668667
1-[3-(azepan-1-yl)propyl]-2-methyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111005928
N-[2-(1-methylpiperidin-4-yl)ethyl]-4-phenoxybutanamide
CID 50875549
3-phenoxy-N-(2-pyrrolidin-1-ylethoxy)propanamide
CID 110643041
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
1-[6-(4-phenylphenoxy)hexyl]piperidine
CID 155533744
3-amino-3-phenyl-N-(5-piperidin-1-ylpentyl)propanamide
CID 119953878

Frequently Asked Questions

What is the IUPAC name of N-[5-(azepan-1-yl)pentyl]-4-phenoxybutanamide?
The IUPAC name of N-[5-(azepan-1-yl)pentyl]-4-phenoxybutanamide (CID 110443436) is N-[5-(azepan-1-yl)pentyl]-4-phenoxybutanamide.
What is the SMILES notation for N-[5-(azepan-1-yl)pentyl]-4-phenoxybutanamide?
The canonical SMILES for N-[5-(azepan-1-yl)pentyl]-4-phenoxybutanamide is O=C(CCCOc1ccccc1)NCCCCCN1CCCCCC1.
What is the InChIKey of N-[5-(azepan-1-yl)pentyl]-4-phenoxybutanamide?
The InChIKey is QQJQSFJQNPNDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O2/c24-21(14-11-19-25-20-12-5-3-6-13-20)22-15-7-4-10-18-23-16-8-1-2-9-17-23/h3,5-6,12-13H,1-2,4,7-11,14-19H2,(H,22,24).
What are the key properties of N-[5-(azepan-1-yl)pentyl]-4-phenoxybutanamide?
N-[5-(azepan-1-yl)pentyl]-4-phenoxybutanamide has a molecular weight of 346.51 g/mol, XLogP of 4.01, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(azepan-1-yl)pentyl]-4-phenoxybutanamide is sourced from PubChem (CID 110443436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).