N-(3-hexoxyphenyl)-2-(4-methylphenoxy)propanamide

C22H29NO3 — CID 17094785

IUPACN-(3-hexoxyphenyl)-2-(4-methylphenoxy)propanamide
SMILESCCCCCCOc1cccc(NC(=O)C(C)Oc2ccc(C)cc2)c1
InChIInChI=1S/C22H29NO3/c1-4-5-6-7-15-25-21-10-8-9-19(16-21)23-22(24)18(3)26-20-13-11-17(2)12-14-20/h8-14,16,18H,4-7,15H2,1-3H3,(H,23,24)
InChIKeyGAHZKTQWNSOBEE-UHFFFAOYSA-N
MW355.48 g/mol
LogP5.36
Rot. Bonds10

About N-(3-hexoxyphenyl)-2-(4-methylphenoxy)propanamide

N-(3-hexoxyphenyl)-2-(4-methylphenoxy)propanamide (PubChem CID 17094785) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-(3-hexoxyphenyl)-2-(4-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(3-hexoxyphenyl)-2-(4-methylphenoxy)propanamide
PubChem CID17094785
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC NameN-(3-hexoxyphenyl)-2-(4-methylphenoxy)propanamide
SMILESCCCCCCOc1cccc(NC(=O)C(C)Oc2ccc(C)cc2)c1
InChIInChI=1S/C22H29NO3/c1-4-5-6-7-15-25-21-10-8-9-19(16-21)23-22(24)18(3)26-20-13-11-17(2)12-14-20/h8-14,16,18H,4-7,15H2,1-3H3,(H,23,24)
InChIKeyGAHZKTQWNSOBEE-UHFFFAOYSA-N
XLogP5.36
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.48
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(3-hexoxyphenyl)-2-(4-methylphenoxy)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-hexoxyphenyl)-2-phenoxypropanamide
CID 17094791
(2S)-N-(4-butoxyphenyl)-2-(4-methylphenoxy)propanamide
CID 8757338
2-(4-methylphenoxy)-N-(3-prop-2-enoxyphenyl)propanamide
CID 17086700
N-[3-(2-phenoxyethoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 17123582
N-(3-heptoxyphenyl)-4-methylbenzamide
CID 17138098
2-amino-N-(3-butoxyphenyl)-2-(4-methylphenyl)acetamide
CID 120667763
N-(3-ethoxyphenyl)-2-(3-methylphenoxy)propanamide
CID 17098138
(2R)-N-(4-hexoxyphenyl)-2-(4-methoxyphenoxy)propanamide
CID 8757311
N-[3-(3-cyanopropoxy)phenyl]-2-(4-phenylphenoxy)propanamide
CID 60531952
2-(2,6-dimethylphenoxy)-N-(4-heptoxyphenyl)propanamide
CID 4958569
4-butan-2-yloxy-N-(3-heptoxyphenyl)benzamide
CID 17141359
4-butan-2-yloxy-N-(3-hexoxyphenyl)benzamide
CID 17141337

Frequently Asked Questions

What is the IUPAC name of N-(3-hexoxyphenyl)-2-(4-methylphenoxy)propanamide?
The IUPAC name of N-(3-hexoxyphenyl)-2-(4-methylphenoxy)propanamide (CID 17094785) is N-(3-hexoxyphenyl)-2-(4-methylphenoxy)propanamide.
What is the SMILES notation for N-(3-hexoxyphenyl)-2-(4-methylphenoxy)propanamide?
The canonical SMILES for N-(3-hexoxyphenyl)-2-(4-methylphenoxy)propanamide is CCCCCCOc1cccc(NC(=O)C(C)Oc2ccc(C)cc2)c1.
What is the InChIKey of N-(3-hexoxyphenyl)-2-(4-methylphenoxy)propanamide?
The InChIKey is GAHZKTQWNSOBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-4-5-6-7-15-25-21-10-8-9-19(16-21)23-22(24)18(3)26-20-13-11-17(2)12-14-20/h8-14,16,18H,4-7,15H2,1-3H3,(H,23,24).
What are the key properties of N-(3-hexoxyphenyl)-2-(4-methylphenoxy)propanamide?
N-(3-hexoxyphenyl)-2-(4-methylphenoxy)propanamide has a molecular weight of 355.48 g/mol, XLogP of 5.36, 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-(4-methylphenoxy)propanamide is sourced from PubChem (CID 17094785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).