5-bromo-N-(3-phenoxypropyl)pentanamide

C14H20BrNO2 — CID 107909983

IUPAC5-bromo-N-(3-phenoxypropyl)pentanamide
SMILESO=C(CCCCBr)NCCCOc1ccccc1
InChIInChI=1S/C14H20BrNO2/c15-10-5-4-9-14(17)16-11-6-12-18-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2,(H,16,17)
InChIKeyHYSLSDFUTGUUCD-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.14
Rot. Bonds9

About 5-bromo-N-(3-phenoxypropyl)pentanamide

5-bromo-N-(3-phenoxypropyl)pentanamide (PubChem CID 107909983) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 5-bromo-N-(3-phenoxypropyl)pentanamide.

Molecular Properties

Compound Name5-bromo-N-(3-phenoxypropyl)pentanamide
PubChem CID107909983
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name5-bromo-N-(3-phenoxypropyl)pentanamide
SMILESO=C(CCCCBr)NCCCOc1ccccc1
InChIInChI=1S/C14H20BrNO2/c15-10-5-4-9-14(17)16-11-6-12-18-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2,(H,16,17)
InChIKeyHYSLSDFUTGUUCD-UHFFFAOYSA-N
XLogP3.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(3-phenoxypropyl)hexanamide
CID 62074464
N-(6-bromohexyl)-2-phenoxyacetamide
CID 114008509
4-phenoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]butanamide
CID 108934823
N-[2-(4-chlorophenoxy)ethyl]-4-phenoxybutanamide
CID 94868069
4-chloro-N-[4-oxo-4-(2-phenoxyethylamino)butyl]benzamide
CID 26903822
4-phenoxy-N-[2-(propanoylamino)ethyl]butanamide
CID 108541761
4-amino-N-(3-phenoxypropyl)pentanamide;hydrochloride
CID 120559424
N-(2-phenoxyethyl)-4-(propan-2-ylamino)butanamide
CID 55017381
4-oxo-4-(2-phenoxyethylamino)butanoate
CID 9156478
2-(4-bromophenoxy)-N-(3-phenoxypropyl)acetamide
CID 9245994
N'-(2-phenoxyethyl)-N-[3-[[4-(2H-triazol-4-yl)benzoyl]amino]propyl]dodecanediamide
CID 162289382
ethyl 4-(3-phenoxypropanoylamino)butanoate
CID 60637552

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-phenoxypropyl)pentanamide?
The IUPAC name of 5-bromo-N-(3-phenoxypropyl)pentanamide (CID 107909983) is 5-bromo-N-(3-phenoxypropyl)pentanamide.
What is the SMILES notation for 5-bromo-N-(3-phenoxypropyl)pentanamide?
The canonical SMILES for 5-bromo-N-(3-phenoxypropyl)pentanamide is O=C(CCCCBr)NCCCOc1ccccc1.
What is the InChIKey of 5-bromo-N-(3-phenoxypropyl)pentanamide?
The InChIKey is HYSLSDFUTGUUCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c15-10-5-4-9-14(17)16-11-6-12-18-13-7-2-1-3-8-13/h1-3,7-8H,4-6,9-12H2,(H,16,17).
What are the key properties of 5-bromo-N-(3-phenoxypropyl)pentanamide?
5-bromo-N-(3-phenoxypropyl)pentanamide has a molecular weight of 314.22 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-phenoxypropyl)pentanamide is sourced from PubChem (CID 107909983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).