N-ethyl-N-(2-methylphenyl)-4-phenoxybutanamide

C19H23NO2 — CID 3263797

IUPACN-ethyl-N-(2-methylphenyl)-4-phenoxybutanamide
SMILESCCN(C(=O)CCCOc1ccccc1)c1ccccc1C
InChIInChI=1S/C19H23NO2/c1-3-20(18-13-8-7-10-16(18)2)19(21)14-9-15-22-17-11-5-4-6-12-17/h4-8,10-13H,3,9,14-15H2,1-2H3
InChIKeyXTATZJPPYSKVFH-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.21
Rot. Bonds7

About N-ethyl-N-(2-methylphenyl)-4-phenoxybutanamide

N-ethyl-N-(2-methylphenyl)-4-phenoxybutanamide (PubChem CID 3263797) has the molecular formula C19H23NO2 and a molecular weight of 297.40 g/mol. Its IUPAC name is N-ethyl-N-(2-methylphenyl)-4-phenoxybutanamide.

Molecular Properties

Compound NameN-ethyl-N-(2-methylphenyl)-4-phenoxybutanamide
PubChem CID3263797
Molecular FormulaC19H23NO2
Molecular Weight297.40 g/mol
Exact Mass297.17
IUPAC NameN-ethyl-N-(2-methylphenyl)-4-phenoxybutanamide
SMILESCCN(C(=O)CCCOc1ccccc1)c1ccccc1C
InChIInChI=1S/C19H23NO2/c1-3-20(18-13-8-7-10-16(18)2)19(21)14-9-15-22-17-11-5-4-6-12-17/h4-8,10-13H,3,9,14-15H2,1-2H3
InChIKeyXTATZJPPYSKVFH-UHFFFAOYSA-N
XLogP4.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethyl-N-(2-methylphenyl)-4-phenoxybutanamide?
The IUPAC name of N-ethyl-N-(2-methylphenyl)-4-phenoxybutanamide (CID 3263797) is N-ethyl-N-(2-methylphenyl)-4-phenoxybutanamide.
What is the SMILES notation for N-ethyl-N-(2-methylphenyl)-4-phenoxybutanamide?
The canonical SMILES for N-ethyl-N-(2-methylphenyl)-4-phenoxybutanamide is CCN(C(=O)CCCOc1ccccc1)c1ccccc1C.
What is the InChIKey of N-ethyl-N-(2-methylphenyl)-4-phenoxybutanamide?
The InChIKey is XTATZJPPYSKVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO2/c1-3-20(18-13-8-7-10-16(18)2)19(21)14-9-15-22-17-11-5-4-6-12-17/h4-8,10-13H,3,9,14-15H2,1-2H3.
What are the key properties of N-ethyl-N-(2-methylphenyl)-4-phenoxybutanamide?
N-ethyl-N-(2-methylphenyl)-4-phenoxybutanamide has a molecular weight of 297.40 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-methylphenyl)-4-phenoxybutanamide is sourced from PubChem (CID 3263797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).