N-(3-butoxypropyl)-4-phenoxybutanamide

C17H27NO3 — CID 2914857

IUPACN-(3-butoxypropyl)-4-phenoxybutanamide
SMILESCCCCOCCCNC(=O)CCCOc1ccccc1
InChIInChI=1S/C17H27NO3/c1-2-3-13-20-14-8-12-18-17(19)11-7-15-21-16-9-5-4-6-10-16/h4-6,9-10H,2-3,7-8,11-15H2,1H3,(H,18,19)
InChIKeyARPUOZDFTAHVMY-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.17
Rot. Bonds12

About N-(3-butoxypropyl)-4-phenoxybutanamide

N-(3-butoxypropyl)-4-phenoxybutanamide (PubChem CID 2914857) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is N-(3-butoxypropyl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(3-butoxypropyl)-4-phenoxybutanamide
PubChem CID2914857
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC NameN-(3-butoxypropyl)-4-phenoxybutanamide
SMILESCCCCOCCCNC(=O)CCCOc1ccccc1
InChIInChI=1S/C17H27NO3/c1-2-3-13-20-14-8-12-18-17(19)11-7-15-21-16-9-5-4-6-10-16/h4-6,9-10H,2-3,7-8,11-15H2,1H3,(H,18,19)
InChIKeyARPUOZDFTAHVMY-UHFFFAOYSA-N
XLogP3.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.17
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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Frequently Asked Questions

What is the IUPAC name of N-(3-butoxypropyl)-4-phenoxybutanamide?
The IUPAC name of N-(3-butoxypropyl)-4-phenoxybutanamide (CID 2914857) is N-(3-butoxypropyl)-4-phenoxybutanamide.
What is the SMILES notation for N-(3-butoxypropyl)-4-phenoxybutanamide?
The canonical SMILES for N-(3-butoxypropyl)-4-phenoxybutanamide is CCCCOCCCNC(=O)CCCOc1ccccc1.
What is the InChIKey of N-(3-butoxypropyl)-4-phenoxybutanamide?
The InChIKey is ARPUOZDFTAHVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-2-3-13-20-14-8-12-18-17(19)11-7-15-21-16-9-5-4-6-10-16/h4-6,9-10H,2-3,7-8,11-15H2,1H3,(H,18,19).
What are the key properties of N-(3-butoxypropyl)-4-phenoxybutanamide?
N-(3-butoxypropyl)-4-phenoxybutanamide has a molecular weight of 293.41 g/mol, XLogP of 3.17, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butoxypropyl)-4-phenoxybutanamide is sourced from PubChem (CID 2914857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).