N-(3-hexoxyphenyl)-2-phenoxypropanamide

C21H27NO3 — CID 17094791

IUPACN-(3-hexoxyphenyl)-2-phenoxypropanamide
SMILESCCCCCCOc1cccc(NC(=O)C(C)Oc2ccccc2)c1
InChIInChI=1S/C21H27NO3/c1-3-4-5-9-15-24-20-14-10-11-18(16-20)22-21(23)17(2)25-19-12-7-6-8-13-19/h6-8,10-14,16-17H,3-5,9,15H2,1-2H3,(H,22,23)
InChIKeyFKQBFQKBGGUWLS-UHFFFAOYSA-N
MW341.45 g/mol
LogP5.05
Rot. Bonds10

About N-(3-hexoxyphenyl)-2-phenoxypropanamide

N-(3-hexoxyphenyl)-2-phenoxypropanamide (PubChem CID 17094791) has the molecular formula C21H27NO3 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-(3-hexoxyphenyl)-2-phenoxypropanamide.

Molecular Properties

Compound NameN-(3-hexoxyphenyl)-2-phenoxypropanamide
PubChem CID17094791
Molecular FormulaC21H27NO3
Molecular Weight341.45 g/mol
Exact Mass341.20
IUPAC NameN-(3-hexoxyphenyl)-2-phenoxypropanamide
SMILESCCCCCCOc1cccc(NC(=O)C(C)Oc2ccccc2)c1
InChIInChI=1S/C21H27NO3/c1-3-4-5-9-15-24-20-14-10-11-18(16-20)22-21(23)17(2)25-19-12-7-6-8-13-19/h6-8,10-14,16-17H,3-5,9,15H2,1-2H3,(H,22,23)
InChIKeyFKQBFQKBGGUWLS-UHFFFAOYSA-N
XLogP5.05
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.45
LogP ≤ 55.05
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

N-(3-hexoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 17094785
N-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 17123582
butyl 3-(2-phenoxypropanoylamino)benzoate
CID 53265691
N-[3-(3-cyanopropoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 60531952
N-[3-(2-methylprop-2-enoxy)phenyl]-2-phenoxypropanamide
CID 17122473
hexyl 4-(2-phenoxypropanoylamino)benzoate
CID 53265697
2-(2,6-dimethylphenoxy)-N-[3-(2-phenoxyethoxy)phenyl]propanamide
CID 17123595
(3-hexoxyphenyl)urea
CID 102387253
3-[[(2R)-2-phenoxypropanoyl]amino]benzoic acid
CID 974931
(2R)-N-(4-hexoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 8757311
4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide
CID 17141359
N-[3-(2-ethoxyethoxy)phenyl]-2-(2-methoxyphenoxy)propanamide
CID 19628748

Frequently Asked Questions

What is the IUPAC name of N-(3-hexoxyphenyl)-2-phenoxypropanamide?
The IUPAC name of N-(3-hexoxyphenyl)-2-phenoxypropanamide (CID 17094791) is N-(3-hexoxyphenyl)-2-phenoxypropanamide.
What is the SMILES notation for N-(3-hexoxyphenyl)-2-phenoxypropanamide?
The canonical SMILES for N-(3-hexoxyphenyl)-2-phenoxypropanamide is CCCCCCOc1cccc(NC(=O)C(C)Oc2ccccc2)c1.
What is the InChIKey of N-(3-hexoxyphenyl)-2-phenoxypropanamide?
The InChIKey is FKQBFQKBGGUWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO3/c1-3-4-5-9-15-24-20-14-10-11-18(16-20)22-21(23)17(2)25-19-12-7-6-8-13-19/h6-8,10-14,16-17H,3-5,9,15H2,1-2H3,(H,22,23).
What are the key properties of N-(3-hexoxyphenyl)-2-phenoxypropanamide?
N-(3-hexoxyphenyl)-2-phenoxypropanamide has a molecular weight of 341.45 g/mol, XLogP of 5.05, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hexoxyphenyl)-2-phenoxypropanamide is sourced from PubChem (CID 17094791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).