N-(3-methoxypropyl)-4-phenoxybutanamide

C14H21NO3 — CID 2164009

IUPACN-(3-methoxypropyl)-4-phenoxybutanamide
SMILESCOCCCNC(=O)CCCOc1ccccc1
InChIInChI=1S/C14H21NO3/c1-17-11-6-10-15-14(16)9-5-12-18-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3,(H,15,16)
InChIKeyNCZYUBUNQDSKAZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.00
Rot. Bonds9

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

N-(3-methoxypropyl)-4-phenoxybutanamide (PubChem CID 2164009) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-phenoxybutanamide
PubChem CID2164009
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC NameN-(3-methoxypropyl)-4-phenoxybutanamide
SMILESCOCCCNC(=O)CCCOc1ccccc1
InChIInChI=1S/C14H21NO3/c1-17-11-6-10-15-14(16)9-5-12-18-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3,(H,15,16)
InChIKeyNCZYUBUNQDSKAZ-UHFFFAOYSA-N
XLogP2.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.00
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-methoxypropyl)-4-phenoxybutanamide?
The IUPAC name of N-(3-methoxypropyl)-4-phenoxybutanamide (CID 2164009) is N-(3-methoxypropyl)-4-phenoxybutanamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-phenoxybutanamide?
The canonical SMILES for N-(3-methoxypropyl)-4-phenoxybutanamide is COCCCNC(=O)CCCOc1ccccc1.
What is the InChIKey of N-(3-methoxypropyl)-4-phenoxybutanamide?
The InChIKey is NCZYUBUNQDSKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-17-11-6-10-15-14(16)9-5-12-18-13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3,(H,15,16).
What are the key properties of N-(3-methoxypropyl)-4-phenoxybutanamide?
N-(3-methoxypropyl)-4-phenoxybutanamide has a molecular weight of 251.33 g/mol, XLogP of 2.00, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-phenoxybutanamide is sourced from PubChem (CID 2164009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).